3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile

C10H15N3 — CID 121212763

IUPAC3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile
SMILESCc1[nH]nc(C(C)C)c1CCC#N
InChIInChI=1S/C10H15N3/c1-7(2)10-9(5-4-6-11)8(3)12-13-10/h7H,4-5H2,1-3H3,(H,12,13)
InChIKeyHNIKYRAXHYTPDZ-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.30
Rot. Bonds3

About 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile

3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile (PubChem CID 121212763) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile
PubChem CID121212763
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile
SMILESCc1[nH]nc(C(C)C)c1CCC#N
InChIInChI=1S/C10H15N3/c1-7(2)10-9(5-4-6-11)8(3)12-13-10/h7H,4-5H2,1-3H3,(H,12,13)
InChIKeyHNIKYRAXHYTPDZ-UHFFFAOYSA-N
XLogP2.30
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]propanenitrile
CID 121213114
4-(2-chloroethyl)-5-methyl-3-propan-2-yl-1H-pyrazole
CID 121212794
4-(methoxymethyl)-5-methyl-3-propan-2-yl-1H-pyrazole
CID 89087640
methyl 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanoate
CID 121212752
3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile
CID 121212765
5-methyl-4-[(4-methylsulfanylphenyl)methyl]-3-propan-2-yl-1H-pyrazole
CID 141055306
3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212862
3-(5-methyl-1H-pyrazol-4-yl)propanenitrile
CID 121212043
5-butyl-4-ethyl-3-propan-2-yl-1H-pyrazole
CID 123805633
3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212864
1-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-N-methylmethanamine
CID 54851004
1-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)ethanone
CID 10749582

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile?
The IUPAC name of 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile (CID 121212763) is 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile.
What is the SMILES notation for 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile?
The canonical SMILES for 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile is Cc1[nH]nc(C(C)C)c1CCC#N.
What is the InChIKey of 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile?
The InChIKey is HNIKYRAXHYTPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7(2)10-9(5-4-6-11)8(3)12-13-10/h7H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile?
3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile has a molecular weight of 177.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile is sourced from PubChem (CID 121212763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).