2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile

C15H16N4 — CID 65497762

IUPAC2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2cc(-c3ccc(N)cc3)cn2)CC1
InChIInChI=1S/C15H16N4/c16-8-7-15(5-6-15)11-19-10-13(9-18-19)12-1-3-14(17)4-2-12/h1-4,9-10H,5-7,11,17H2
InChIKeyQLFTTZTUFQGKBU-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.83
Rot. Bonds4

About 2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile

2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile (PubChem CID 65497762) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile
PubChem CID65497762
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(Cn2cc(-c3ccc(N)cc3)cn2)CC1
InChIInChI=1S/C15H16N4/c16-8-7-15(5-6-15)11-19-10-13(9-18-19)12-1-3-14(17)4-2-12/h1-4,9-10H,5-7,11,17H2
InChIKeyQLFTTZTUFQGKBU-UHFFFAOYSA-N
XLogP2.83
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile
CID 63328480
2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]ethanamine
CID 65480559
5-[4-(4-aminophenyl)pyrazol-1-yl]-2,2-dimethylpentanenitrile
CID 65254342
2-[1-[(4-phenylpyrazol-1-yl)methyl]cyclopropyl]acetic acid
CID 65498246
2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid
CID 63328089
4-[1-(3-methylbutyl)pyrazol-4-yl]aniline
CID 63328349
4-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]aniline
CID 64554836
4-[1-(4,4,4-trifluorobutyl)pyrazol-4-yl]aniline
CID 115513892
4-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]aniline
CID 63328036
4-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]aniline
CID 63327910
methyl 2-[4-(4-aminophenyl)pyrazol-1-yl]acetate
CID 63328172
3-[4-(4-fluorophenyl)pyrazol-1-yl]propanenitrile
CID 79016874

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile (CID 65497762) is 2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile is N#CCC1(Cn2cc(-c3ccc(N)cc3)cn2)CC1.
What is the InChIKey of 2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile?
The InChIKey is QLFTTZTUFQGKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-8-7-15(5-6-15)11-19-10-13(9-18-19)12-1-3-14(17)4-2-12/h1-4,9-10H,5-7,11,17H2.
What are the key properties of 2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile?
2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-(4-aminophenyl)pyrazol-1-yl]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 65497762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).