N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C20H22N6O — CID 167774361

IUPACN-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C3CC3)CC2)cc1)c1ccn2nccc2n1
InChIInChI=1S/C20H22N6O/c27-20(18-8-10-26-19(23-18)7-9-21-26)22-15-1-3-16(4-2-15)24-11-13-25(14-12-24)17-5-6-17/h1-4,7-10,17H,5-6,11-14H2,(H,22,27)
InChIKeyMSKSJSOAMXWUHX-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.27
Rot. Bonds4

About N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 167774361) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID167774361
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C3CC3)CC2)cc1)c1ccn2nccc2n1
InChIInChI=1S/C20H22N6O/c27-20(18-8-10-26-19(23-18)7-9-21-26)22-15-1-3-16(4-2-15)24-11-13-25(14-12-24)17-5-6-17/h1-4,7-10,17H,5-6,11-14H2,(H,22,27)
InChIKeyMSKSJSOAMXWUHX-UHFFFAOYSA-N
XLogP2.27
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
CID 110288066
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 112502757
N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 110862074
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 167781477
2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109313461
6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide
CID 109095385
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
2-(cyclopropylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109295672
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 110288057
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide
CID 67112599
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110627164

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 167774361) is N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is O=C(Nc1ccc(N2CCN(C3CC3)CC2)cc1)c1ccn2nccc2n1.
What is the InChIKey of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is MSKSJSOAMXWUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(18-8-10-26-19(23-18)7-9-21-26)22-15-1-3-16(4-2-15)24-11-13-25(14-12-24)17-5-6-17/h1-4,7-10,17H,5-6,11-14H2,(H,22,27).
What are the key properties of N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 362.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopropylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 167774361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).