N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine

C14H17N3 — CID 54980066

IUPACN-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
SMILESCn1cc(-c2ccc(CNC3CC3)cc2)cn1
InChIInChI=1S/C14H17N3/c1-17-10-13(9-16-17)12-4-2-11(3-5-12)8-15-14-6-7-14/h2-5,9-10,14-15H,6-8H2,1H3
InChIKeyWLKQLHQPYIILMW-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.34
Rot. Bonds4

About N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine

N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine (PubChem CID 54980066) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
PubChem CID54980066
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
SMILESCn1cc(-c2ccc(CNC3CC3)cc2)cn1
InChIInChI=1S/C14H17N3/c1-17-10-13(9-16-17)12-4-2-11(3-5-12)8-15-14-6-7-14/h2-5,9-10,14-15H,6-8H2,1H3
InChIKeyWLKQLHQPYIILMW-UHFFFAOYSA-N
XLogP2.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033287
N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 79778825
N-[[4-(3-tert-butyl-1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 66023284
1-methyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine
CID 43215927
N-[[3-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 55238701
N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine
CID 170995437
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
1-methyl-4-(4-phenylphenyl)pyrazole
CID 135064285
N-[[4-(4-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61025702
N-[[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methyl]cyclopropanamine
CID 106463295
N-[(1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 63335876
5-[(cyclopropylamino)methyl]-2-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 114206320

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine (CID 54980066) is N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine is Cn1cc(-c2ccc(CNC3CC3)cc2)cn1.
What is the InChIKey of N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is WLKQLHQPYIILMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17-10-13(9-16-17)12-4-2-11(3-5-12)8-15-14-6-7-14/h2-5,9-10,14-15H,6-8H2,1H3.
What are the key properties of N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine?
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 227.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 54980066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).