3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide

C9H14ClN3O — CID 19542099

IUPAC3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cc(Cl)cn1
InChIInChI=1S/C9H14ClN3O/c1-7(2)12-9(14)3-4-13-6-8(10)5-11-13/h5-7H,3-4H2,1-2H3,(H,12,14)
InChIKeyYENFGTDAPTYPFT-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.45
Rot. Bonds4

About 3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide

3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide (PubChem CID 19542099) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide
PubChem CID19542099
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1cc(Cl)cn1
InChIInChI=1S/C9H14ClN3O/c1-7(2)12-9(14)3-4-13-6-8(10)5-11-13/h5-7H,3-4H2,1-2H3,(H,12,14)
InChIKeyYENFGTDAPTYPFT-UHFFFAOYSA-N
XLogP1.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
CID 119369224
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
N-butyl-3-(4-chloropyrazol-1-yl)propanamide
CID 19539689
N-[1-(4-butan-2-ylphenyl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19542086
N-[(1R)-1-(1-adamantyl)ethyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 40761680
methyl 3-(4-chloropyrazol-1-yl)propanoate
CID 7017157
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 98224351
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
2-(4-chloropyrazol-1-yl)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 54909730
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539616
3-(4-chloro-3-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19544146
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide (CID 19542099) is 3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCn1cc(Cl)cn1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is YENFGTDAPTYPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-7(2)12-9(14)3-4-13-6-8(10)5-11-13/h5-7H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide?
3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 215.68 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 19542099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).