4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide

C16H28ClN5O — CID 56704969

IUPAC4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(C)Cn2nc(C)c(Cl)c2C)CC1
InChIInChI=1S/C16H28ClN5O/c1-5-18-16(23)21-8-6-14(7-9-21)19-11(2)10-22-13(4)15(17)12(3)20-22/h11,14,19H,5-10H2,1-4H3,(H,18,23)
InChIKeyOQYUSZAVYGECGD-UHFFFAOYSA-N
MW341.89 g/mol
LogP2.33
Rot. Bonds5

About 4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide

4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide (PubChem CID 56704969) has the molecular formula C16H28ClN5O and a molecular weight of 341.89 g/mol. Its IUPAC name is 4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide
PubChem CID56704969
Molecular FormulaC16H28ClN5O
Molecular Weight341.89 g/mol
Exact Mass341.20
IUPAC Name4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(NC(C)Cn2nc(C)c(Cl)c2C)CC1
InChIInChI=1S/C16H28ClN5O/c1-5-18-16(23)21-8-6-14(7-9-21)19-11(2)10-22-13(4)15(17)12(3)20-22/h11,14,19H,5-10H2,1-4H3,(H,18,23)
InChIKeyOQYUSZAVYGECGD-UHFFFAOYSA-N
XLogP2.33
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide (CID 56704969) is 4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCC(NC(C)Cn2nc(C)c(Cl)c2C)CC1.
What is the InChIKey of 4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide?
The InChIKey is OQYUSZAVYGECGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN5O/c1-5-18-16(23)21-8-6-14(7-9-21)19-11(2)10-22-13(4)15(17)12(3)20-22/h11,14,19H,5-10H2,1-4H3,(H,18,23).
What are the key properties of 4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide?
4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide has a molecular weight of 341.89 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 56704969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).