N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine

C18H23N3 — CID 66441513

IUPACN-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccc(Cn2ncc(CNC3CC3)c2C2CC2)cc1
InChIInChI=1S/C18H23N3/c1-13-2-4-14(5-3-13)12-21-18(15-6-7-15)16(11-20-21)10-19-17-8-9-17/h2-5,11,15,17,19H,6-10,12H2,1H3
InChIKeyVIMFUJKEPANAKZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.37
Rot. Bonds6

About N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine

N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 66441513) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID66441513
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccc(Cn2ncc(CNC3CC3)c2C2CC2)cc1
InChIInChI=1S/C18H23N3/c1-13-2-4-14(5-3-13)12-21-18(15-6-7-15)16(11-20-21)10-19-17-8-9-17/h2-5,11,15,17,19H,6-10,12H2,1H3
InChIKeyVIMFUJKEPANAKZ-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]cyclopropanamine
CID 66442704
4-(bromomethyl)-5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazole
CID 66438813
N-[(1-benzyl-5-cyclopropylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66440894
N-[[1-[(4-fluorophenyl)methyl]-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
CID 66439775
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041561
(1-benzyl-5-cyclopropylpyrazol-4-yl)methanol
CID 66438332
N-methyl-1-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methanamine
CID 54982266
N-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62447884
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441057
5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-amine
CID 79547585
[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203271
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 54980066

Frequently Asked Questions

What is the IUPAC name of N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine (CID 66441513) is N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine is Cc1ccc(Cn2ncc(CNC3CC3)c2C2CC2)cc1.
What is the InChIKey of N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is VIMFUJKEPANAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-13-2-4-14(5-3-13)12-21-18(15-6-7-15)16(11-20-21)10-19-17-8-9-17/h2-5,11,15,17,19H,6-10,12H2,1H3.
What are the key properties of N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 281.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66441513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).