N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H20N4O — CID 19416911

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(NC(=O)c1cc2ncccn2n1)C1CC2CCC1C2
InChIInChI=1S/C16H20N4O/c1-10(13-8-11-3-4-12(13)7-11)18-16(21)14-9-15-17-5-2-6-20(15)19-14/h2,5-6,9-13H,3-4,7-8H2,1H3,(H,18,21)
InChIKeyALJHKWHRGLICOA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.28
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19416911) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19416911
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(NC(=O)c1cc2ncccn2n1)C1CC2CCC1C2
InChIInChI=1S/C16H20N4O/c1-10(13-8-11-3-4-12(13)7-11)18-16(21)14-9-15-17-5-2-6-20(15)19-14/h2,5-6,9-13H,3-4,7-8H2,1H3,(H,18,21)
InChIKeyALJHKWHRGLICOA-UHFFFAOYSA-N
XLogP2.28
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantylmethyl)-3-chloropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2978661
N-cyclohexyl-7-isopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040850
N-cyclohexyl-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171780
N-cyclopentyl-7-(dimethylamino)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171782
N-cyclohexyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53171797
N-Cyclopentyl-7-(1-pyrrolidinyl)pyrazolo[1,5-A]pyrimidine-5-carboxamide
CID 53171801
N~5~-cyclopentyl-7-isopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53179902
N-(cis-3-{5-[(dimethylamino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}cyclobutyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 91774262
N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 74248545
[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 164632532
7-N-[(4,4-difluorocyclohexyl)methyl]pyrazolo[1,5-a]pyrimidine-3,7-dicarboxamide
CID 128270443
N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166704624

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19416911) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(NC(=O)c1cc2ncccn2n1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ALJHKWHRGLICOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10(13-8-11-3-4-12(13)7-11)18-16(21)14-9-15-17-5-2-6-20(15)19-14/h2,5-6,9-13H,3-4,7-8H2,1H3,(H,18,21).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19416911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).