1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile

C12H18N4 — CID 79638591

IUPAC1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCC(n2cccn2)C1
InChIInChI=1S/C12H18N4/c1-10(2)15-12(9-13)5-4-11(8-12)16-7-3-6-14-16/h3,6-7,10-11,15H,4-5,8H2,1-2H3
InChIKeyTXIJYWCHNBMLPM-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.87
Rot. Bonds3

About 1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile

1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile (PubChem CID 79638591) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile
PubChem CID79638591
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCC(n2cccn2)C1
InChIInChI=1S/C12H18N4/c1-10(2)15-12(9-13)5-4-11(8-12)16-7-3-6-14-16/h3,6-7,10-11,15H,4-5,8H2,1-2H3
InChIKeyTXIJYWCHNBMLPM-UHFFFAOYSA-N
XLogP1.87
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639233
3-(2-methylpyrrolidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639998
1-(propan-2-ylamino)-3-(4-propan-2-ylazepan-1-yl)cyclopentane-1-carbonitrile
CID 79638672
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639789
1-(propan-2-ylamino)-3-(4-propylpiperidin-1-yl)cyclopentane-1-carbonitrile
CID 79639775
3-[4-(methoxymethyl)piperidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639786
3-[3-(diethylamino)pyrrolidin-1-yl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79638520
3-(1-methylpyrazol-4-yl)sulfanyl-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79649828
1-spiro[4.5]decan-8-ylpyrazole
CID 142729641
3-methoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639311
3-methyl-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 43151562
1-cyclopentylpyrazole
CID 10844435

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile?
The IUPAC name of 1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile (CID 79638591) is 1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile?
The canonical SMILES for 1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile is CC(C)NC1(C#N)CCC(n2cccn2)C1.
What is the InChIKey of 1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile?
The InChIKey is TXIJYWCHNBMLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-10(2)15-12(9-13)5-4-11(8-12)16-7-3-6-14-16/h3,6-7,10-11,15H,4-5,8H2,1-2H3.
What are the key properties of 1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile?
1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-pyrazol-1-ylcyclopentane-1-carbonitrile is sourced from PubChem (CID 79638591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).