N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H10N4O3 — CID 1251504

IUPACN-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnn2cccnc12
InChIInChI=1S/C14H10N4O3/c19-14(10-7-16-18-5-1-4-15-13(10)18)17-9-2-3-11-12(6-9)21-8-20-11/h1-7H,8H2,(H,17,19)
InChIKeyGBHYUTNSBXHCPK-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.71
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1251504) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1251504
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC NameN-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnn2cccnc12
InChIInChI=1S/C14H10N4O3/c19-14(10-7-16-18-5-1-4-15-13(10)18)17-9-2-3-11-12(6-9)21-8-20-11/h1-7H,8H2,(H,17,19)
InChIKeyGBHYUTNSBXHCPK-UHFFFAOYSA-N
XLogP1.71
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-((2,2-Difluoro-1,3-benzodioxol-5-yl)amino)-N,N-dimethyl-5-(4-pyridinyl)-1H-1,2,4-triazole-1-propanamide
CID 16755766
Pyrazolo[1,5-b]pyridazine deriv. 26
CID 6539368
N-(1,3-benzodioxol-5-yl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1264532
N-(1,3-benzodioxol-5-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 665044
N-1,3-benzodioxol-5-yl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2982379
N-(1,3-benzodioxol-5-yl)-5-[2-[(3,4-difluorophenyl)methylamino]-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 11373593
N-(benzo[d][1,3]dioxol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24815997
3-(5-(benzo[d][1,3]dioxol-5-ylamino)-1,3,4-oxadiazol-2-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 44408202
N-(3-fluoro-4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46907765
4-Anilino-2-(3,4-dimethoxyanilino)pyrimidine-5-carboxamide
CID 66576633
N-(2-methoxy-4-pyrrolidin-1-ylphenyl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 153534358
5-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 646321

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1251504) is N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cnn2cccnc12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GBHYUTNSBXHCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-14(10-7-16-18-5-1-4-15-13(10)18)17-9-2-3-11-12(6-9)21-8-20-11/h1-7H,8H2,(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1251504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).