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

C16H18N8O2 — CID 122515272

IUPACN-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1nn(C2CCNCC2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C16H18N8O2/c17-14(25)13-12(9-24(22-13)10-2-5-18-6-3-10)21-16(26)11-8-20-23-7-1-4-19-15(11)23/h1,4,7-10,18H,2-3,5-6H2,(H2,17,25)(H,21,26)
InChIKeyBLSQRRSQGBDVDL-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.20
Rot. Bonds4

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

N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122515272) has the molecular formula C16H18N8O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122515272
Molecular FormulaC16H18N8O2
Molecular Weight354.37 g/mol
Exact Mass354.16
IUPAC NameN-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1nn(C2CCNCC2)cc1NC(=O)c1cnn2cccnc12
InChIInChI=1S/C16H18N8O2/c17-14(25)13-12(9-24(22-13)10-2-5-18-6-3-10)21-16(26)11-8-20-23-7-1-4-19-15(11)23/h1,4,7-10,18H,2-3,5-6H2,(H2,17,25)(H,21,26)
InChIKeyBLSQRRSQGBDVDL-UHFFFAOYSA-N
XLogP0.20
TPSA132.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.20
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-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122515272) is N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1nn(C2CCNCC2)cc1NC(=O)c1cnn2cccnc12.
What is the InChIKey of N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BLSQRRSQGBDVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O2/c17-14(25)13-12(9-24(22-13)10-2-5-18-6-3-10)21-16(26)11-8-20-23-7-1-4-19-15(11)23/h1,4,7-10,18H,2-3,5-6H2,(H2,17,25)(H,21,26).
What are the key properties of N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122515272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).