N-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide

C18H24N4O — CID 155538633

IUPACN-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(-c2ccn(CCNC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C18H24N4O/c1-15-5-7-16(8-6-15)17-9-13-22(20-17)14-10-19-18(23)21-11-3-2-4-12-21/h5-9,13H,2-4,10-12,14H2,1H3,(H,19,23)
InChIKeyDOJBGACKXYWZCZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.05
Rot. Bonds4

About N-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide

N-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (PubChem CID 155538633) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
PubChem CID155538633
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(-c2ccn(CCNC(=O)N3CCCCC3)n2)cc1
InChIInChI=1S/C18H24N4O/c1-15-5-7-16(8-6-15)17-9-13-22(20-17)14-10-19-18(23)21-11-3-2-4-12-21/h5-9,13H,2-4,10-12,14H2,1H3,(H,19,23)
InChIKeyDOJBGACKXYWZCZ-UHFFFAOYSA-N
XLogP3.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(4-methylpiperazino)phenyl]-N-phenyl-1H-pyrazole-1-carboxamide
CID 4264966
1-Cycloheptyl-1-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10599427
1-Cycloheptyl-1-[[3-(2-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10646964
1-Cycloheptyl-1-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10718170
1-Cycloheptyl-1-[[3-(1-methylpyrazol-3-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 11797565
N-cyano-N'-(2-methylphenyl)-4-[2-(3-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide
CID 44455378
N-cyano-N'-(2-methylphenyl)-4-[2-(5-methylpyrazol-1-yl)acetyl]-3-phenylpiperazine-1-carboximidamide
CID 44455380
N-[2-(3-phenylpyrazol-1-yl)propyl]piperidine-1-carboxamide
CID 118514522
N-[1-(3-phenylpyrazol-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 118514528
N-[2-(3-phenylpyrazol-1-yl)ethyl]piperidine-1-carboxamide
CID 118524339
(4-Benzylpiperazin-1-yl)-pyrazol-1-ylmethanone
CID 118526402
(4-Benzylpiperazin-1-yl)-(4-methylpyrazol-1-yl)methanone
CID 118526594

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide (CID 155538633) is N-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is Cc1ccc(-c2ccn(CCNC(=O)N3CCCCC3)n2)cc1.
What is the InChIKey of N-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
The InChIKey is DOJBGACKXYWZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15-5-7-16(8-6-15)17-9-13-22(20-17)14-10-19-18(23)21-11-3-2-4-12-21/h5-9,13H,2-4,10-12,14H2,1H3,(H,19,23).
What are the key properties of N-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide?
N-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methylphenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 155538633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).