2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H26N6O — CID 87045926

IUPAC2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26N6O/c1-17-19(20-22-9-6-12-27(20)24-17)21(28)23-10-5-11-25-13-15-26(16-14-25)18-7-3-2-4-8-18/h2-4,6-9,12H,5,10-11,13-16H2,1H3,(H,23,28)
InChIKeyZNAVISBMFUSPKO-UHFFFAOYSA-N
MW378.48 g/mol
LogP1.98
Rot. Bonds6

About 2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 87045926) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID87045926
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26N6O/c1-17-19(20-22-9-6-12-27(20)24-17)21(28)23-10-5-11-25-13-15-26(16-14-25)18-7-3-2-4-8-18/h2-4,6-9,12H,5,10-11,13-16H2,1H3,(H,23,28)
InChIKeyZNAVISBMFUSPKO-UHFFFAOYSA-N
XLogP1.98
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzenesulfonyl)ethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86839885
2-methyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55969249
N-[3-(4-phenylpiperazin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 33134748
N-(3-butoxypropyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86822712
2-N,2-N,6-trimethyl-5-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2,5-dicarboxamide
CID 86891495
1,3,6-trimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 38447194
5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 51155914
6-methyl-4-oxo-1-phenyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridazine-3-carboxamide
CID 38447789
2,5-dimethyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224502
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 33138536

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 87045926) is 2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZNAVISBMFUSPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-17-19(20-22-9-6-12-27(20)24-17)21(28)23-10-5-11-25-13-15-26(16-14-25)18-7-3-2-4-8-18/h2-4,6-9,12H,5,10-11,13-16H2,1H3,(H,23,28).
What are the key properties of 2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 87045926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).