N-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide

C14H12ClN5O — CID 102989766

IUPACN-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C14H12ClN5O/c15-13-14(18-11-5-2-1-4-10(11)17-13)19-12(21)6-9-20-8-3-7-16-20/h1-5,7-8H,6,9H2,(H,18,19,21)
InChIKeyDHBUBWRVZXCSPN-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.51
Rot. Bonds4

About N-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide

N-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide (PubChem CID 102989766) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is N-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide
PubChem CID102989766
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC NameN-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide
SMILESO=C(CCn1cccn1)Nc1nc2ccccc2nc1Cl
InChIInChI=1S/C14H12ClN5O/c15-13-14(18-11-5-2-1-4-10(11)17-13)19-12(21)6-9-20-8-3-7-16-20/h1-5,7-8H,6,9H2,(H,18,19,21)
InChIKeyDHBUBWRVZXCSPN-UHFFFAOYSA-N
XLogP2.51
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 114049005
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N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
CID 92596027
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CID 28788711
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-pyrazol-1-ylpropanamide
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N-(1,3-dimethylpyrazol-4-yl)-3-pyrazol-1-ylpropanamide
CID 134704539
N-[2-(ethylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119439339
N-[2-(methylaminomethyl)phenyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 119437899
N-(4-benzyl-1,3-thiazol-2-yl)-3-pyrazol-1-ylpropanamide
CID 75477161
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide (CID 102989766) is N-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide is O=C(CCn1cccn1)Nc1nc2ccccc2nc1Cl.
What is the InChIKey of N-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide?
The InChIKey is DHBUBWRVZXCSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c15-13-14(18-11-5-2-1-4-10(11)17-13)19-12(21)6-9-20-8-3-7-16-20/h1-5,7-8H,6,9H2,(H,18,19,21).
What are the key properties of N-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide?
N-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide has a molecular weight of 301.74 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloroquinoxalin-2-yl)-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 102989766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).