3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile

C17H21N7 — CID 144974326

IUPAC3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile
SMILES[H]/N=C/c1c(N)ncnc1-c1cn(C(CC#N)C2CCCC2)nc1C
InChIInChI=1S/C17H21N7/c1-11-14(16-13(8-19)17(20)22-10-21-16)9-24(23-11)15(6-7-18)12-4-2-3-5-12/h8-10,12,15,19H,2-6H2,1H3,(H2,20,21,22)/b19-8+
InChIKeyZMWBGHNWTFEZKK-UFWORHAWSA-N
MW323.40 g/mol
LogP2.87
Rot. Bonds5

About 3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile

3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile (PubChem CID 144974326) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile.

Molecular Properties

Compound Name3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile
PubChem CID144974326
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile
SMILES[H]/N=C/c1c(N)ncnc1-c1cn(C(CC#N)C2CCCC2)nc1C
InChIInChI=1S/C17H21N7/c1-11-14(16-13(8-19)17(20)22-10-21-16)9-24(23-11)15(6-7-18)12-4-2-3-5-12/h8-10,12,15,19H,2-6H2,1H3,(H2,20,21,22)/b19-8+
InChIKeyZMWBGHNWTFEZKK-UFWORHAWSA-N
XLogP2.87
TPSA117.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Casein Kinase inhibitor A86
CID 134812748
Cyclopentyl-[4-(3-methyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amine
CID 49839966
[4-(3-Isopropyl-1H-pyrazol-4-yl)-5-methyl-pyrimidin-2-yl]-(1-methyl-piperidin-4-yl)-amine
CID 49840033
(R)-3-Cyclopentyl-3-(4-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile
CID 70673384
3-Methyl-5-(6-pyrazol-1-ylpyrimidin-4-yl)benzonitrile
CID 90646677
(3R)-3-cyclopentyl-3-[(4M)-4-{5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-1H-pyrazol-1-yl]propanenitrile
CID 168301725
4-(5-methyl-1-propyl-1H-pyrazol-4-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-2-amine
CID 46986051
2-amino-4-(1,5-dimethyl-1H-pyrazol-4-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
CID 841803
2-[5-[6-Amino-5-(trifluoromethyl)pyridin-3-yl]-2-propan-2-ylpyrazol-3-yl]-2-methylpropanenitrile
CID 78318305
4-(3-iodo-1-(1-methylethyl)-1H-pyrazol-4-yl)-2-pyrimidinamine
CID 51034337
4-Azanyl-6-[1-[[3,4-bis(fluoranyl)phenyl]methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
CID 155907509
N-methyl-6-[1-(2-methylpropyl)pyrazol-4-yl]pyrimidin-4-amine
CID 46942530

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile?
The IUPAC name of 3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile (CID 144974326) is 3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile.
What is the SMILES notation for 3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile?
The canonical SMILES for 3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile is [H]/N=C/c1c(N)ncnc1-c1cn(C(CC#N)C2CCCC2)nc1C.
What is the InChIKey of 3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile?
The InChIKey is ZMWBGHNWTFEZKK-UFWORHAWSA-N. The full InChI is InChI=1S/C17H21N7/c1-11-14(16-13(8-19)17(20)22-10-21-16)9-24(23-11)15(6-7-18)12-4-2-3-5-12/h8-10,12,15,19H,2-6H2,1H3,(H2,20,21,22)/b19-8+.
What are the key properties of 3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile?
3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile has a molecular weight of 323.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-amino-5-methanimidoylpyrimidin-4-yl)-3-methylpyrazol-1-yl]-3-cyclopentylpropanenitrile is sourced from PubChem (CID 144974326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).