N-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide

C17H22N6O2 — CID 56897637

IUPACN-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide
SMILESCc1cc2nc(C(=O)N3CCNCC3C(=O)NC3CC3)cc(C)n2n1
InChIInChI=1S/C17H22N6O2/c1-10-7-15-20-13(8-11(2)23(15)21-10)17(25)22-6-5-18-9-14(22)16(24)19-12-3-4-12/h7-8,12,14,18H,3-6,9H2,1-2H3,(H,19,24)
InChIKeyWMTCIGJZWWYWIU-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.04
Rot. Bonds3

About N-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide

N-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide (PubChem CID 56897637) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide
PubChem CID56897637
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide
SMILESCc1cc2nc(C(=O)N3CCNCC3C(=O)NC3CC3)cc(C)n2n1
InChIInChI=1S/C17H22N6O2/c1-10-7-15-20-13(8-11(2)23(15)21-10)17(25)22-6-5-18-9-14(22)16(24)19-12-3-4-12/h7-8,12,14,18H,3-6,9H2,1-2H3,(H,19,24)
InChIKeyWMTCIGJZWWYWIU-UHFFFAOYSA-N
XLogP0.04
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide (CID 56897637) is N-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide is Cc1cc2nc(C(=O)N3CCNCC3C(=O)NC3CC3)cc(C)n2n1.
What is the InChIKey of N-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide?
The InChIKey is WMTCIGJZWWYWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-10-7-15-20-13(8-11(2)23(15)21-10)17(25)22-6-5-18-9-14(22)16(24)19-12-3-4-12/h7-8,12,14,18H,3-6,9H2,1-2H3,(H,19,24).
What are the key properties of N-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide?
N-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 56897637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).