N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide

C17H23N7O — CID 143574848

IUPACN-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide
SMILESNc1[nH]ncc1-c1ccnc(NC2CCC(NC(=O)C3CC3)CC2)n1
InChIInChI=1S/C17H23N7O/c18-15-13(9-20-24-15)14-7-8-19-17(23-14)22-12-5-3-11(4-6-12)21-16(25)10-1-2-10/h7-12H,1-6H2,(H,21,25)(H3,18,20,24)(H,19,22,23)
InChIKeyPQLVFIBSGZLJMJ-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.70
Rot. Bonds5

About N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide

N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide (PubChem CID 143574848) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide
PubChem CID143574848
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC NameN-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide
SMILESNc1[nH]ncc1-c1ccnc(NC2CCC(NC(=O)C3CC3)CC2)n1
InChIInChI=1S/C17H23N7O/c18-15-13(9-20-24-15)14-7-8-19-17(23-14)22-12-5-3-11(4-6-12)21-16(25)10-1-2-10/h7-12H,1-6H2,(H,21,25)(H3,18,20,24)(H,19,22,23)
InChIKeyPQLVFIBSGZLJMJ-UHFFFAOYSA-N
XLogP1.70
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide with MolForge

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Related Compounds

4-(5-amino-1H-pyrazol-4-yl)-N-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]pyrimidin-2-amine
CID 143575109
1-[4-[[4-(5-amino-1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]-3-phenylurea
CID 70313203
N-[4-[4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]cyclohexyl]methanesulfonamide
CID 44591768
1-[4-[[4-(5-amino-1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]-3-(2-fluorophenyl)urea
CID 143575034
4-[[4-(1,5-dimethylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 143574911
N-[4-(pyridin-2-ylamino)cyclohexyl]cyclopropanecarboxamide
CID 166194505
4-(5-methyl-1H-pyrazol-4-yl)-N-(1-phenylpiperidin-4-yl)pyrimidin-2-amine
CID 59564767
4-[2-(1-cyclohexylethyl)pyrimidin-4-yl]-1H-pyrazol-5-amine
CID 143575059
1-[2-[[4-[[4-(5-amino-1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]amino]-2-hydroxyethyl]piperidin-2-one
CID 143575013
N-[[3-[2-(cyclohexylamino)pyrimidin-4-yl]phenyl]methyl]cyclopropanecarboxamide
CID 90710188
4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 68556119
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide (CID 143574848) is N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide is Nc1[nH]ncc1-c1ccnc(NC2CCC(NC(=O)C3CC3)CC2)n1.
What is the InChIKey of N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide?
The InChIKey is PQLVFIBSGZLJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c18-15-13(9-20-24-15)14-7-8-19-17(23-14)22-12-5-3-11(4-6-12)21-16(25)10-1-2-10/h7-12H,1-6H2,(H,21,25)(H3,18,20,24)(H,19,22,23).
What are the key properties of N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide?
N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.70, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(5-amino-1H-pyrazol-4-yl)pyrimidin-2-yl]amino]cyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 143574848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).