2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide

C12H14ClN3O2 — CID 19536831

IUPAC2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ccco1)n1cc(Cl)cn1
InChIInChI=1S/C12H14ClN3O2/c1-2-11(16-8-9(13)6-15-16)12(17)14-7-10-4-3-5-18-10/h3-6,8,11H,2,7H2,1H3,(H,14,17)
InChIKeyBJLKZHNNHVGSCA-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.40
Rot. Bonds5

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

2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide (PubChem CID 19536831) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide
PubChem CID19536831
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide
SMILESCCC(C(=O)NCc1ccco1)n1cc(Cl)cn1
InChIInChI=1S/C12H14ClN3O2/c1-2-11(16-8-9(13)6-15-16)12(17)14-7-10-4-3-5-18-10/h3-6,8,11H,2,7H2,1H3,(H,14,17)
InChIKeyBJLKZHNNHVGSCA-UHFFFAOYSA-N
XLogP2.40
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534412
3-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 19542092
(2R)-2-(4-chloropyrazol-1-yl)butanoic acid
CID 7017286
2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide
CID 19549369
N-(furan-2-ylmethyl)-2-(4-phenylpyrazol-1-yl)propanamide
CID 110210706
2-bromo-N-(furan-2-ylmethyl)butanamide
CID 25219706
2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide
CID 19584578
N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)propanamide
CID 4918403
4-[[3-(4-chloropyrazol-1-yl)-2-methylpropanoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19570506
2-(4-chloropyrazol-1-yl)-N-(2-nitrophenyl)butanamide
CID 19549253
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
(2R)-2-(3-chlorophenoxy)-N-(furan-2-ylmethyl)butanamide
CID 7346761

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide (CID 19536831) is 2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide is CCC(C(=O)NCc1ccco1)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is BJLKZHNNHVGSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-2-11(16-8-9(13)6-15-16)12(17)14-7-10-4-3-5-18-10/h3-6,8,11H,2,7H2,1H3,(H,14,17).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide?
2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 267.72 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 19536831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).