2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile

C14H22N4 — CID 79584630

IUPAC2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
SMILESCc1c(C(C#N)NC2CCCCCC2)cnn1C
InChIInChI=1S/C14H22N4/c1-11-13(10-16-18(11)2)14(9-15)17-12-7-5-3-4-6-8-12/h10,12,14,17H,3-8H2,1-2H3
InChIKeyWVWXMHAQFOAVRR-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.61
Rot. Bonds3

About 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile

2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile (PubChem CID 79584630) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
PubChem CID79584630
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
SMILESCc1c(C(C#N)NC2CCCCCC2)cnn1C
InChIInChI=1S/C14H22N4/c1-11-13(10-16-18(11)2)14(9-15)17-12-7-5-3-4-6-8-12/h10,12,14,17H,3-8H2,1-2H3
InChIKeyWVWXMHAQFOAVRR-UHFFFAOYSA-N
XLogP2.61
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cycloheptylamino)-2-(1-methylpyrazol-4-yl)acetonitrile
CID 54894537
2-(cyclohexylamino)-2-(1,5-dimethylpyrazol-4-yl)acetic acid
CID 79584074
methyl 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79584453
2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile
CID 79584724
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclohexylamino)acetonitrile
CID 83089771
2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
CID 61002347
2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile
CID 79583604
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine
CID 103981520
2-(cyclohexylamino)-2-(2-fluorophenyl)acetonitrile
CID 54894619
2-(azepan-1-yl)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
CID 79583925
2-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(cyclopentylamino)acetonitrile
CID 83089524
2-(cyclohexylamino)-2-(2,4,6-trimethylphenyl)acetonitrile
CID 54894375

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile?
The IUPAC name of 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile (CID 79584630) is 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile?
The canonical SMILES for 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile is Cc1c(C(C#N)NC2CCCCCC2)cnn1C.
What is the InChIKey of 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile?
The InChIKey is WVWXMHAQFOAVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11-13(10-16-18(11)2)14(9-15)17-12-7-5-3-4-6-8-12/h10,12,14,17H,3-8H2,1-2H3.
What are the key properties of 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile?
2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile has a molecular weight of 246.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile is sourced from PubChem (CID 79584630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).