4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide

C10H10Cl2N4O — CID 103856316

IUPAC4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Cl)c(Cl)[nH]1)c1cn[nH]c1
InChIInChI=1S/C10H10Cl2N4O/c1-5(6-3-13-14-4-6)15-10(17)8-2-7(11)9(12)16-8/h2-5,16H,1H3,(H,13,14)(H,15,17)
InChIKeyRHDFCCNDOSTTIA-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.54
Rot. Bonds3

About 4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide

4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 103856316) has the molecular formula C10H10Cl2N4O and a molecular weight of 273.12 g/mol. Its IUPAC name is 4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID103856316
Molecular FormulaC10H10Cl2N4O
Molecular Weight273.12 g/mol
Exact Mass272.02
IUPAC Name4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Cl)c(Cl)[nH]1)c1cn[nH]c1
InChIInChI=1S/C10H10Cl2N4O/c1-5(6-3-13-14-4-6)15-10(17)8-2-7(11)9(12)16-8/h2-5,16H,1H3,(H,13,14)(H,15,17)
InChIKeyRHDFCCNDOSTTIA-UHFFFAOYSA-N
XLogP2.54
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
4,5-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 78853112
5-chloro-6-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 106218044
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide
CID 103856696
5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114158282
3,4-dichloro-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106211219
5-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 113339663
5-bromo-2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857031
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
4-(methylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106218102

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 103856316) is 4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide is CC(NC(=O)c1cc(Cl)c(Cl)[nH]1)c1cn[nH]c1.
What is the InChIKey of 4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is RHDFCCNDOSTTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4O/c1-5(6-3-13-14-4-6)15-10(17)8-2-7(11)9(12)16-8/h2-5,16H,1H3,(H,13,14)(H,15,17).
What are the key properties of 4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 273.12 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 103856316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).