1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine

C14H17N3 — CID 79979585

IUPAC1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESc1ccc(C2CC2)c(CNCc2cn[nH]c2)c1
InChIInChI=1S/C14H17N3/c1-2-4-14(12-5-6-12)13(3-1)10-15-7-11-8-16-17-9-11/h1-4,8-9,12,15H,5-7,10H2,(H,16,17)
InChIKeyJRJKSQARTXDDRH-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.58
Rot. Bonds5

About 1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine

1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine (PubChem CID 79979585) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
PubChem CID79979585
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
SMILESc1ccc(C2CC2)c(CNCc2cn[nH]c2)c1
InChIInChI=1S/C14H17N3/c1-2-4-14(12-5-6-12)13(3-1)10-15-7-11-8-16-17-9-11/h1-4,8-9,12,15H,5-7,10H2,(H,16,17)
InChIKeyJRJKSQARTXDDRH-UHFFFAOYSA-N
XLogP2.58
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-cyclopropylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 79889960
N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 54897524
1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000262
1-(2-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79889709
1-(1,3-benzodioxol-4-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 54897096
methyl 2-[(2-cyclopropylphenyl)methylamino]acetate
CID 79978808
1-(1H-indol-7-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 102847635
1-[(2-cyclopropylphenyl)methylamino]-2-methylpropan-2-ol
CID 79888885
N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79889646
N'-[(2-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979438
1-piperidin-2-yl-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 106633696
1-(3-phenoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000596

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine (CID 79979585) is 1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine is c1ccc(C2CC2)c(CNCc2cn[nH]c2)c1.
What is the InChIKey of 1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
The InChIKey is JRJKSQARTXDDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-4-14(12-5-6-12)13(3-1)10-15-7-11-8-16-17-9-11/h1-4,8-9,12,15H,5-7,10H2,(H,16,17).
What are the key properties of 1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine?
1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine is sourced from PubChem (CID 79979585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).