3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide

C11H12ClN3O2 — CID 19542092

IUPAC3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCn1cc(Cl)cn1)NCc1ccco1
InChIInChI=1S/C11H12ClN3O2/c12-9-6-14-15(8-9)4-3-11(16)13-7-10-2-1-5-17-10/h1-2,5-6,8H,3-4,7H2,(H,13,16)
InChIKeyKOPKWPRHQUKGTF-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.84
Rot. Bonds5

About 3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide

3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide (PubChem CID 19542092) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
PubChem CID19542092
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
SMILESO=C(CCn1cc(Cl)cn1)NCc1ccco1
InChIInChI=1S/C11H12ClN3O2/c12-9-6-14-15(8-9)4-3-11(16)13-7-10-2-1-5-17-10/h1-2,5-6,8H,3-4,7H2,(H,13,16)
InChIKeyKOPKWPRHQUKGTF-UHFFFAOYSA-N
XLogP1.84
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide
CID 19536831
N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
2-(4-chloropyrazol-1-yl)-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 19527848
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
2-(4-chloropyrazol-1-yl)-1-(furan-2-yl)ethanone
CID 61034881
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19542099
2-[4-(furan-2-ylmethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621941
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
CID 82042115
4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19561846

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide (CID 19542092) is 3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide is O=C(CCn1cc(Cl)cn1)NCc1ccco1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is KOPKWPRHQUKGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-9-6-14-15(8-9)4-3-11(16)13-7-10-2-1-5-17-10/h1-2,5-6,8H,3-4,7H2,(H,13,16).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide?
3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 253.69 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 19542092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).