4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide

C9H8Cl2N4O — CID 61216613

IUPAC4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C9H8Cl2N4O/c10-6-3-7(14-8(6)11)9(16)12-4-5-1-2-13-15-5/h1-3,14H,4H2,(H,12,16)(H,13,15)
InChIKeyFPNCDTDMBSNOTB-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.97
Rot. Bonds3

About 4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide

4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 61216613) has the molecular formula C9H8Cl2N4O and a molecular weight of 259.10 g/mol. Its IUPAC name is 4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID61216613
Molecular FormulaC9H8Cl2N4O
Molecular Weight259.10 g/mol
Exact Mass258.01
IUPAC Name4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1ccn[nH]1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C9H8Cl2N4O/c10-6-3-7(14-8(6)11)9(16)12-4-5-1-2-13-15-5/h1-3,14H,4H2,(H,12,16)(H,13,15)
InChIKeyFPNCDTDMBSNOTB-UHFFFAOYSA-N
XLogP1.97
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
CID 47285902
4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 31303037
3-amino-4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 61284863
N-[[4-(aminomethyl)phenyl]methyl]-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 81090669
2-(4-chlorophenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 47285808
2,6-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 113346790
4,5-dichloro-N-[(4-cyanophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 78852900
N-[[4-(chloromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 107233397
N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 60975279
4-iodo-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 47204233
2-oxo-N-(1H-pyrazol-5-ylmethyl)-1H-pyridine-4-carboxamide
CID 103764061
2,3-dihydroxy-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 114344962

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide (CID 61216613) is 4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(NCc1ccn[nH]1)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is FPNCDTDMBSNOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2N4O/c10-6-3-7(14-8(6)11)9(16)12-4-5-1-2-13-15-5/h1-3,14H,4H2,(H,12,16)(H,13,15).
What are the key properties of 4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 259.10 g/mol, XLogP of 1.97, 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-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61216613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).