N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25N5O — CID 46974570

IUPACN-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(CCNC(=O)c1cnn2c(-c3ccccc3)ccnc12)C1CCCC1
InChIInChI=1S/C21H25N5O/c1-25(17-9-5-6-10-17)14-13-23-21(27)18-15-24-26-19(11-12-22-20(18)26)16-7-3-2-4-8-16/h2-4,7-8,11-12,15,17H,5-6,9-10,13-14H2,1H3,(H,23,27)
InChIKeyZISUGAUDNDSXLY-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.00
Rot. Bonds6

About N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46974570) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46974570
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC NameN-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(CCNC(=O)c1cnn2c(-c3ccccc3)ccnc12)C1CCCC1
InChIInChI=1S/C21H25N5O/c1-25(17-9-5-6-10-17)14-13-23-21(27)18-15-24-26-19(11-12-22-20(18)26)16-7-3-2-4-8-16/h2-4,7-8,11-12,15,17H,5-6,9-10,13-14H2,1H3,(H,23,27)
InChIKeyZISUGAUDNDSXLY-UHFFFAOYSA-N
XLogP3.00
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46974570) is N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(CCNC(=O)c1cnn2c(-c3ccccc3)ccnc12)C1CCCC1.
What is the InChIKey of N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZISUGAUDNDSXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-25(17-9-5-6-10-17)14-13-23-21(27)18-15-24-26-19(11-12-22-20(18)26)16-7-3-2-4-8-16/h2-4,7-8,11-12,15,17H,5-6,9-10,13-14H2,1H3,(H,23,27).
What are the key properties of N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopentyl(methyl)amino]ethyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46974570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).