(4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone

C11H14ClN3O — CID 71921544

IUPAC(4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1n[nH]c(C2CC2)c1Cl)N1CCCC1
InChIInChI=1S/C11H14ClN3O/c12-8-9(7-3-4-7)13-14-10(8)11(16)15-5-1-2-6-15/h7H,1-6H2,(H,13,14)
InChIKeyYAWDSRIQXBKCOC-UHFFFAOYSA-N
MW239.71 g/mol
LogP2.18
Rot. Bonds2

About (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone

(4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 71921544) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID71921544
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name(4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1n[nH]c(C2CC2)c1Cl)N1CCCC1
InChIInChI=1S/C11H14ClN3O/c12-8-9(7-3-4-7)13-14-10(8)11(16)15-5-1-2-6-15/h7H,1-6H2,(H,13,14)
InChIKeyYAWDSRIQXBKCOC-UHFFFAOYSA-N
XLogP2.18
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone (CID 71921544) is (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone is O=C(c1n[nH]c(C2CC2)c1Cl)N1CCCC1.
What is the InChIKey of (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is YAWDSRIQXBKCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-8-9(7-3-4-7)13-14-10(8)11(16)15-5-1-2-6-15/h7H,1-6H2,(H,13,14).
What are the key properties of (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
(4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 239.71 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-cyclopropyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 71921544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).