N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

C15H26N4O — CID 66121154

IUPACN-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)C2CCCCC2CN)n(C)n1
InChIInChI=1S/C15H26N4O/c1-4-12-9-14(19(3)17-12)15(20)18(2)13-8-6-5-7-11(13)10-16/h9,11,13H,4-8,10,16H2,1-3H3
InChIKeyJAOUCOWSFSJODW-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.57
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 66121154) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID66121154
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)C2CCCCC2CN)n(C)n1
InChIInChI=1S/C15H26N4O/c1-4-12-9-14(19(3)17-12)15(20)18(2)13-8-6-5-7-11(13)10-16/h9,11,13H,4-8,10,16H2,1-3H3
InChIKeyJAOUCOWSFSJODW-UHFFFAOYSA-N
XLogP1.57
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (CID 66121154) is N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is CCc1cc(C(=O)N(C)C2CCCCC2CN)n(C)n1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is JAOUCOWSFSJODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-12-9-14(19(3)17-12)15(20)18(2)13-8-6-5-7-11(13)10-16/h9,11,13H,4-8,10,16H2,1-3H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.57, 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]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66121154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).