N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide

C26H28N6O — CID 126614042

IUPACN-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc(C5(N)CC5)cc4)cn3)cc2)c1
InChIInChI=1S/C26H28N6O/c1-19-12-29-31(15-19)16-21-2-4-22(5-3-21)17-32-18-23(14-30-32)25(33)28-13-20-6-8-24(9-7-20)26(27)10-11-26/h2-9,12,14-15,18H,10-11,13,16-17,27H2,1H3,(H,28,33)
InChIKeyKPKAKVCRNPVDEF-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.36
Rot. Bonds8

About N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide

N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 126614042) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID126614042
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC NameN-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc(C5(N)CC5)cc4)cn3)cc2)c1
InChIInChI=1S/C26H28N6O/c1-19-12-29-31(15-19)16-21-2-4-22(5-3-21)17-32-18-23(14-30-32)25(33)28-13-20-6-8-24(9-7-20)26(27)10-11-26/h2-9,12,14-15,18H,10-11,13,16-17,27H2,1H3,(H,28,33)
InChIKeyKPKAKVCRNPVDEF-UHFFFAOYSA-N
XLogP3.36
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-benzyl-1 H-pyrazole-4-carboxylic acid 4-carbamimidoyl-benzylamide
CID 24857697
US9670157, 85 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-benzyl]-1H-pyrazole-4-carboxylic acid 4-aminomethyl-benzylamide
CID 86290349
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 86729933
N-[[4-(aminomethyl)phenyl]methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 90280145
US9670157, 118 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-benzyl]-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid 4-aminomethyl-2,6-dimethyl-benzylamide
CID 86290529
N-[(4-methylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168274944
N-[(2,6-dimethylphenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168285019
N-[(2,6-difluorophenyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 168290075
N-[1-[4-[2-(1-benzylpyrazol-4-yl)ethynyl]phenyl]propan-2-yl]acetamide
CID 68191414
US9670157, 117 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-benzyl]-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid 4-aminomethyl-3-fluoro-benzylamide
CID 86290528
US9670157, 119 1-[4-(4-Methyl-pyrazol-1-ylmethyl)-benzyl]-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid 4-aminomethyl-3-fluoro-2-methyl-benzylamide
CID 86290530
N-[1-[4-[2-(1-benzylpyrazol-4-yl)ethynyl]phenyl]ethyl]acetamide
CID 90429563

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide (CID 126614042) is N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4ccc(C5(N)CC5)cc4)cn3)cc2)c1.
What is the InChIKey of N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is KPKAKVCRNPVDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-19-12-29-31(15-19)16-21-2-4-22(5-3-21)17-32-18-23(14-30-32)25(33)28-13-20-6-8-24(9-7-20)26(27)10-11-26/h2-9,12,14-15,18H,10-11,13,16-17,27H2,1H3,(H,28,33).
What are the key properties of N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide?
N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-aminocyclopropyl)phenyl]methyl]-1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 126614042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).