3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide

C14H20ClN5O — CID 19554061

IUPAC3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide
SMILESCCn1ccc(C(C)NC(=O)CCn2ncc(Cl)c2C)n1
InChIInChI=1S/C14H20ClN5O/c1-4-19-7-5-13(18-19)10(2)17-14(21)6-8-20-11(3)12(15)9-16-20/h5,7,9-10H,4,6,8H2,1-3H3,(H,17,21)
InChIKeyUJQFNQXYRICZIN-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.33
Rot. Bonds6

About 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide

3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide (PubChem CID 19554061) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide
PubChem CID19554061
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide
SMILESCCn1ccc(C(C)NC(=O)CCn2ncc(Cl)c2C)n1
InChIInChI=1S/C14H20ClN5O/c1-4-19-7-5-13(18-19)10(2)17-14(21)6-8-20-11(3)12(15)9-16-20/h5,7,9-10H,4,6,8H2,1-3H3,(H,17,21)
InChIKeyUJQFNQXYRICZIN-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide
CID 19543902
N-[1-(1-ethylpyrazol-3-yl)ethyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522974
3-[5-[1-(1-ethylpyrazol-3-yl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19491892
2,3-dichloro-N-[1-(1-ethylpyrazol-3-yl)ethyl]benzamide
CID 19462673
4-bromo-1-ethyl-N-[1-(1-ethylpyrazol-3-yl)ethyl]pyrazole-5-carboxamide
CID 19476841
3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19552264
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
CID 19570207
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(2-ethylpyrazol-3-yl)ethyl]propanamide
CID 19541623
3-(4-chloro-5-methylpyrazol-1-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 19554051
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide
CID 19518258
N-[1-(1-ethylpyrazol-3-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519318
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19553968

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide (CID 19554061) is 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide is CCn1ccc(C(C)NC(=O)CCn2ncc(Cl)c2C)n1.
What is the InChIKey of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide?
The InChIKey is UJQFNQXYRICZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-4-19-7-5-13(18-19)10(2)17-14(21)6-8-20-11(3)12(15)9-16-20/h5,7,9-10H,4,6,8H2,1-3H3,(H,17,21).
What are the key properties of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide?
3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide has a molecular weight of 309.80 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1-ethylpyrazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 19554061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).