N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H26N4O2 — CID 46491033

IUPACN-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C22H26N4O2/c27-22(24-13-7-15-28-18-10-5-2-6-11-18)19-16-25-26-20(12-14-23-21(19)26)17-8-3-1-4-9-17/h1,3-4,8-9,12,14,16,18H,2,5-7,10-11,13,15H2,(H,24,27)
InChIKeyAJJJNAYMFPGPBI-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.87
Rot. Bonds7

About N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46491033) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46491033
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCCOC1CCCCC1)c1cnn2c(-c3ccccc3)ccnc12
InChIInChI=1S/C22H26N4O2/c27-22(24-13-7-15-28-18-10-5-2-6-11-18)19-16-25-26-20(12-14-23-21(19)26)17-8-3-1-4-9-17/h1,3-4,8-9,12,14,16,18H,2,5-7,10-11,13,15H2,(H,24,27)
InChIKeyAJJJNAYMFPGPBI-UHFFFAOYSA-N
XLogP3.87
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopentylpropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55828845
N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46974570
N-[3-(2-oxoazepan-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46488049
N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55958474
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
N-(2-hydroxy-2-phenylethyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 75403724
7-(4-methylphenyl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440444
N-[(4-fluorophenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716902
N-cyclohexyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050171
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46074679
2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 59421319
N-(3-cyclohexyloxypropyl)-2-(1H-1,2,4-triazol-5-yl)benzamide
CID 74240570

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46491033) is N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCCOC1CCCCC1)c1cnn2c(-c3ccccc3)ccnc12.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AJJJNAYMFPGPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-22(24-13-7-15-28-18-10-5-2-6-11-18)19-16-25-26-20(12-14-23-21(19)26)17-8-3-1-4-9-17/h1,3-4,8-9,12,14,16,18H,2,5-7,10-11,13,15H2,(H,24,27).
What are the key properties of N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46491033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).