4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide

C13H22N4O — CID 63104142

IUPAC4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCC1CCC(N(C)C(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C13H22N4O/c1-3-9-4-6-10(7-5-9)17(2)13(18)12-11(14)8-15-16-12/h8-10H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyCMEKAKQKDARWOY-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.03
Rot. Bonds3

About 4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide

4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 63104142) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID63104142
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCC1CCC(N(C)C(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C13H22N4O/c1-3-9-4-6-10(7-5-9)17(2)13(18)12-11(14)8-15-16-12/h8-10H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyCMEKAKQKDARWOY-UHFFFAOYSA-N
XLogP2.03
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 54948229
4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide
CID 62079532
4-amino-1-ethyl-N-(4-ethylcyclohexyl)-N-methylpyrazole-5-carboxamide
CID 65358607
4-amino-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 63107047
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-5-carboxamide
CID 63102876
4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide
CID 63102288
4-amino-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 63233409
4-amino-N-(4-ethylphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63104327
4-amino-N-cyclobutyl-N-(2-hydroxyethyl)-1H-pyrazole-5-carboxamide
CID 102858948
4-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1H-pyrazole-5-carboxamide
CID 63104276
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide
CID 63101976
1-(4-ethylcyclohexyl)-1-methylurea
CID 61449062

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide (CID 63104142) is 4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide is CCC1CCC(N(C)C(=O)c2[nH]ncc2N)CC1.
What is the InChIKey of 4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is CMEKAKQKDARWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-9-4-6-10(7-5-9)17(2)13(18)12-11(14)8-15-16-12/h8-10H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide?
4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63104142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).