N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H13ClN4O3 — CID 167973780

IUPACN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCCO2)c1cnn2cccnc12
InChIInChI=1S/C16H13ClN4O3/c17-11-7-13-14(24-6-2-5-23-13)8-12(11)20-16(22)10-9-19-21-4-1-3-18-15(10)21/h1,3-4,7-9H,2,5-6H2,(H,20,22)
InChIKeyJHPHPKXJMCCCOL-UHFFFAOYSA-N
MW344.76 g/mol
LogP2.80
Rot. Bonds2

About N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167973780) has the molecular formula C16H13ClN4O3 and a molecular weight of 344.76 g/mol. Its IUPAC name is N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167973780
Molecular FormulaC16H13ClN4O3
Molecular Weight344.76 g/mol
Exact Mass344.07
IUPAC NameN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCCO2)c1cnn2cccnc12
InChIInChI=1S/C16H13ClN4O3/c17-11-7-13-14(24-6-2-5-23-13)8-12(11)20-16(22)10-9-19-21-4-1-3-18-15(10)21/h1,3-4,7-9H,2,5-6H2,(H,20,22)
InChIKeyJHPHPKXJMCCCOL-UHFFFAOYSA-N
XLogP2.80
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39821356
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)quinoline-5-carboxamide
CID 34278013
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-(5-chloro-2-pyrrolidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056141
N-(5-chloro-2-morpholin-4-ylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056194
N-(2-carbamoyl-5-chloro-4-sulfinamoylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153069
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 134043311
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55607612
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308
N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251288
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78864617

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167973780) is N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc2c(cc1Cl)OCCCO2)c1cnn2cccnc12.
What is the InChIKey of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JHPHPKXJMCCCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O3/c17-11-7-13-14(24-6-2-5-23-13)8-12(11)20-16(22)10-9-19-21-4-1-3-18-15(10)21/h1,3-4,7-9H,2,5-6H2,(H,20,22).
What are the key properties of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 344.76 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167973780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).