5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C16H23N7 — CID 24971313

IUPAC5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)Nc1cc(NC2CCC(N)CC2)nc2c(C#N)cnn12
InChIInChI=1S/C16H23N7/c1-10(2)20-15-7-14(21-13-5-3-12(18)4-6-13)22-16-11(8-17)9-19-23(15)16/h7,9-10,12-13,20H,3-6,18H2,1-2H3,(H,21,22)
InChIKeyFOESVLPZMGVWBM-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.10
Rot. Bonds4

About 5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 24971313) has the molecular formula C16H23N7 and a molecular weight of 313.41 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID24971313
Molecular FormulaC16H23N7
Molecular Weight313.41 g/mol
Exact Mass313.20
IUPAC Name5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)Nc1cc(NC2CCC(N)CC2)nc2c(C#N)cnn12
InChIInChI=1S/C16H23N7/c1-10(2)20-15-7-14(21-13-5-3-12(18)4-6-13)22-16-11(8-17)9-19-23(15)16/h7,9-10,12-13,20H,3-6,18H2,1-2H3,(H,21,22)
InChIKeyFOESVLPZMGVWBM-UHFFFAOYSA-N
XLogP2.10
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

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Related Compounds

5-Chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 24971312
N-octylpyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 12366057
7-(Cyclopropylamino)pyrazolo[1,5-A]pyrimidine-3-carbonitrile
CID 137653457
[4-[[3-Cyano-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]azanium
CID 72199395
5-Chloro-6-methyl-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366059
(cis-4-aminocyclohexyl)(6-tert-butyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amine
CID 56891209
5-N-(4-aminocyclohexyl)-7-N-(3-methylbutyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 71453355
5-N-(4-aminocyclohexyl)-7-N-(cyclohexylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 71462243
7-(Cyclopropylamino)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 137634597
5-N,7-N-ditert-butylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 162677097
5-chloro-N-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine
CID 58314861
5-Fluoro-1-(3-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-3-amine
CID 155274053

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 24971313) is 5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)Nc1cc(NC2CCC(N)CC2)nc2c(C#N)cnn12.
What is the InChIKey of 5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is FOESVLPZMGVWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7/c1-10(2)20-15-7-14(21-13-5-3-12(18)4-6-13)22-16-11(8-17)9-19-23(15)16/h7,9-10,12-13,20H,3-6,18H2,1-2H3,(H,21,22).
What are the key properties of 5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 313.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminocyclohexyl)amino]-7-(propan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 24971313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).