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

C16H17N9O3 — CID 122515252

IUPACN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCNC(=O)C4)nc23)c(C(N)=O)n1
InChIInChI=1S/C16H17N9O3/c1-23-7-10(13(22-23)14(17)27)20-16(28)9-6-19-25-4-2-11(21-15(9)25)24-5-3-18-12(26)8-24/h2,4,6-7H,3,5,8H2,1H3,(H2,17,27)(H,18,26)(H,20,28)
InChIKeyOCMVSUGPLBMBPJ-UHFFFAOYSA-N
MW383.37 g/mol
LogP-1.25
Rot. Bonds4

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

N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122515252) has the molecular formula C16H17N9O3 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122515252
Molecular FormulaC16H17N9O3
Molecular Weight383.37 g/mol
Exact Mass383.15
IUPAC NameN-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCNC(=O)C4)nc23)c(C(N)=O)n1
InChIInChI=1S/C16H17N9O3/c1-23-7-10(13(22-23)14(17)27)20-16(28)9-6-19-25-4-2-11(21-15(9)25)24-5-3-18-12(26)8-24/h2,4,6-7H,3,5,8H2,1H3,(H2,17,27)(H,18,26)(H,20,28)
InChIKeyOCMVSUGPLBMBPJ-UHFFFAOYSA-N
XLogP-1.25
TPSA152.54 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 122181630
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[3-[(2-hydroxy-2-methylpropyl)carbamoyl]-1-methylpyrazol-4-yl]-2-methyl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122515252) is N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(N4CCNC(=O)C4)nc23)c(C(N)=O)n1.
What is the InChIKey of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OCMVSUGPLBMBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N9O3/c1-23-7-10(13(22-23)14(17)27)20-16(28)9-6-19-25-4-2-11(21-15(9)25)24-5-3-18-12(26)8-24/h2,4,6-7H,3,5,8H2,1H3,(H2,17,27)(H,18,26)(H,20,28).
What are the key properties of N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 383.37 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-methylpyrazol-4-yl)-5-(3-oxopiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122515252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).