N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide

C14H24N4O — CID 122568849

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C1CCCNCC1
InChIInChI=1S/C14H24N4O/c1-10-13(11(2)18-17-10)6-9-16-14(19)12-4-3-7-15-8-5-12/h12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZFNVKZMXDDJDTO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.07
Rot. Bonds4

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide (PubChem CID 122568849) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide
PubChem CID122568849
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)C1CCCNCC1
InChIInChI=1S/C14H24N4O/c1-10-13(11(2)18-17-10)6-9-16-14(19)12-4-3-7-15-8-5-12/h12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyZFNVKZMXDDJDTO-UHFFFAOYSA-N
XLogP1.07
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 110717086
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide
CID 112529992
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110717151
5-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112529950
N-(3,5-dimethyl-1H-pyrazol-4-yl)piperidine-4-carboxamide
CID 43547730
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112529934
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753
(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 126445479
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanecarboxamide
CID 110646241
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110717149
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide (CID 122568849) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide is Cc1n[nH]c(C)c1CCNC(=O)C1CCCNCC1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide?
The InChIKey is ZFNVKZMXDDJDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-13(11(2)18-17-10)6-9-16-14(19)12-4-3-7-15-8-5-12/h12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide is sourced from PubChem (CID 122568849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).