N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide

C21H25N5O — CID 154822775

IUPACN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide
SMILESCc1cc(C)n(CC2(CNC(=O)c3c(-c4ccccc4)n[nH]c3C)CC2)n1
InChIInChI=1S/C21H25N5O/c1-14-11-15(2)26(25-14)13-21(9-10-21)12-22-20(27)18-16(3)23-24-19(18)17-7-5-4-6-8-17/h4-8,11H,9-10,12-13H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyJJRPUJOKHPBIFT-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.41
Rot. Bonds6

About N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 154822775) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide
PubChem CID154822775
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide
SMILESCc1cc(C)n(CC2(CNC(=O)c3c(-c4ccccc4)n[nH]c3C)CC2)n1
InChIInChI=1S/C21H25N5O/c1-14-11-15(2)26(25-14)13-21(9-10-21)12-22-20(27)18-16(3)23-24-19(18)17-7-5-4-6-8-17/h4-8,11H,9-10,12-13H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyJJRPUJOKHPBIFT-UHFFFAOYSA-N
XLogP3.41
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 74241544
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-1,3-dimethylindole-2-carboxamide
CID 77081747
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-3-phenyl-3-pyridin-2-ylpropanamide
CID 72930030
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74230830
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-6-methoxy-1-methylindole-2-carboxamide
CID 77085723
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 77086345
5-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-3-phenyl-1H-pyrazole-4-carboxamide
CID 155913728
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-2-(2-oxopyrrolidin-1-yl)propanamide
CID 77080131
(1S,3R,4R)-3-amino-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-4-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155939781
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 114758986
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 114751786
2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362411

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide (CID 154822775) is N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide is Cc1cc(C)n(CC2(CNC(=O)c3c(-c4ccccc4)n[nH]c3C)CC2)n1.
What is the InChIKey of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is JJRPUJOKHPBIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-14-11-15(2)26(25-14)13-21(9-10-21)12-22-20(27)18-16(3)23-24-19(18)17-7-5-4-6-8-17/h4-8,11H,9-10,12-13H2,1-3H3,(H,22,27)(H,23,24).
What are the key properties of N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide?
N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]-5-methyl-3-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154822775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).