2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide

C14H20ClN5O — CID 19549343

IUPAC2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide
SMILESCCC(C(=O)NC(C)c1ccnn1CC)n1cc(Cl)cn1
InChIInChI=1S/C14H20ClN5O/c1-4-12(20-9-11(15)8-17-20)14(21)18-10(3)13-6-7-16-19(13)5-2/h6-10,12H,4-5H2,1-3H3,(H,18,21)
InChIKeyZUTUBTSQFSHHDN-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.58
Rot. Bonds6

About 2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide

2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide (PubChem CID 19549343) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide
PubChem CID19549343
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide
SMILESCCC(C(=O)NC(C)c1ccnn1CC)n1cc(Cl)cn1
InChIInChI=1S/C14H20ClN5O/c1-4-12(20-9-11(15)8-17-20)14(21)18-10(3)13-6-7-16-19(13)5-2/h6-10,12H,4-5H2,1-3H3,(H,18,21)
InChIKeyZUTUBTSQFSHHDN-UHFFFAOYSA-N
XLogP2.58
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-chloropyrazol-1-yl)butanoic acid
CID 7017286
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19533530
2-(4-chloropyrazol-1-yl)-N-(furan-2-ylmethyl)butanamide
CID 19536831
(2R)-2-(4-chloropyrazol-1-yl)butanoate
CID 7017285
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-methylpropanamide
CID 19568700
4-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 51388652
2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485649
2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415098
2-(4-chloropyrazol-1-yl)-N-(3-propan-2-yloxypropyl)butanamide
CID 19584230
2-(4-chloropyrazol-1-yl)-N-(3-ethoxypropyl)butanamide
CID 19549369
2-(4-chloropyrazol-1-yl)-N-(2-cyanophenyl)butanamide
CID 19584578
3-(4-bromopyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19561872

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide (CID 19549343) is 2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide is CCC(C(=O)NC(C)c1ccnn1CC)n1cc(Cl)cn1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide?
The InChIKey is ZUTUBTSQFSHHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-4-12(20-9-11(15)8-17-20)14(21)18-10(3)13-6-7-16-19(13)5-2/h6-10,12H,4-5H2,1-3H3,(H,18,21).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide?
2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide has a molecular weight of 309.80 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 19549343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).