N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide

C14H24N4O — CID 103120889

IUPACN-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide
SMILESCCN(C(=O)c1ccn(C)n1)C1CCCCC1CN
InChIInChI=1S/C14H24N4O/c1-3-18(13-7-5-4-6-11(13)10-15)14(19)12-8-9-17(2)16-12/h8-9,11,13H,3-7,10,15H2,1-2H3
InChIKeyUBQSATJJWYJIEZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.40
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide

N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide (PubChem CID 103120889) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide
PubChem CID103120889
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide
SMILESCCN(C(=O)c1ccn(C)n1)C1CCCCC1CN
InChIInChI=1S/C14H24N4O/c1-3-18(13-7-5-4-6-11(13)10-15)14(19)12-8-9-17(2)16-12/h8-9,11,13H,3-7,10,15H2,1-2H3
InChIKeyUBQSATJJWYJIEZ-UHFFFAOYSA-N
XLogP1.40
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-N,1-dimethylpyrazole-3-carboxamide
CID 103120887
N-(3-aminopropyl)-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 103115758
N-(2-aminoethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 103115823
N-(2-chloroethyl)-N-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 103122400
N-[2-(aminomethyl)cyclohexyl]-3-bromo-N-ethyl-5-methylbenzamide
CID 115999669
N-[2-(aminomethyl)cyclohexyl]-4-bromo-3-chloro-N-ethylbenzamide
CID 81294148
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methoxy-2-methylpropanamide
CID 103021539
N-[2-(aminomethyl)cyclopentyl]-3-chloro-N-ethyl-2-methylbenzamide
CID 107098226
1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea
CID 79153079
2-cyclopentyl-1-(1-methylpyrazol-3-yl)ethanone
CID 65195587
N-[2-(aminomethyl)cyclopentyl]-N-ethylpiperidine-1-carboxamide
CID 79155815
N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121154

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide (CID 103120889) is N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide is CCN(C(=O)c1ccn(C)n1)C1CCCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide?
The InChIKey is UBQSATJJWYJIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-18(13-7-5-4-6-11(13)10-15)14(19)12-8-9-17(2)16-12/h8-9,11,13H,3-7,10,15H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N-ethyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103120889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).