4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide

C11H11ClN4O — CID 43640338

IUPAC4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C11H11ClN4O/c12-7-3-10(16(6-7)9-1-2-9)11(17)15-8-4-13-14-5-8/h3-6,9H,1-2H2,(H,13,14)(H,15,17)
InChIKeyPSHMVWXZWISXRZ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.45
Rot. Bonds3

About 4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide

4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide (PubChem CID 43640338) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
PubChem CID43640338
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1cn[nH]c1)c1cc(Cl)cn1C1CC1
InChIInChI=1S/C11H11ClN4O/c12-7-3-10(16(6-7)9-1-2-9)11(17)15-8-4-13-14-5-8/h3-6,9H,1-2H2,(H,13,14)(H,15,17)
InChIKeyPSHMVWXZWISXRZ-UHFFFAOYSA-N
XLogP2.45
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide (CID 43640338) is 4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide is O=C(Nc1cn[nH]c1)c1cc(Cl)cn1C1CC1.
What is the InChIKey of 4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The InChIKey is PSHMVWXZWISXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-7-3-10(16(6-7)9-1-2-9)11(17)15-8-4-13-14-5-8/h3-6,9H,1-2H2,(H,13,14)(H,15,17).
What are the key properties of 4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide?
4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide has a molecular weight of 250.69 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopropyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 43640338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).