N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H22N8O2 — CID 122515243

IUPACN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4)nc23)c(C(N)=O)n1
InChIInChI=1S/C18H22N8O2/c1-25-10-13(15(24-25)16(19)27)22-18(28)12-9-20-26-8-7-14(23-17(12)26)21-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,19,27)(H,21,23)(H,22,28)
InChIKeyDYJCHUJASSWTKP-UHFFFAOYSA-N
MW382.43 g/mol
LogP1.56
Rot. Bonds5

About N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122515243) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122515243
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4)nc23)c(C(N)=O)n1
InChIInChI=1S/C18H22N8O2/c1-25-10-13(15(24-25)16(19)27)22-18(28)12-9-20-26-8-7-14(23-17(12)26)21-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,19,27)(H,21,23)(H,22,28)
InChIKeyDYJCHUJASSWTKP-UHFFFAOYSA-N
XLogP1.56
TPSA132.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122515243) is N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(NC4CCCCC4)nc23)c(C(N)=O)n1.
What is the InChIKey of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DYJCHUJASSWTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-25-10-13(15(24-25)16(19)27)22-18(28)12-9-20-26-8-7-14(23-17(12)26)21-11-5-3-2-4-6-11/h7-11H,2-6H2,1H3,(H2,19,27)(H,21,23)(H,22,28).
What are the key properties of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(cyclohexylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122515243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).