4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide

C14H24N4O2 — CID 65117831

IUPAC4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCC2(O)CCC(C)CC2)c1N
InChIInChI=1S/C14H24N4O2/c1-3-10-11(15)12(18-17-10)13(19)16-8-14(20)6-4-9(2)5-7-14/h9,20H,3-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyXKQRLKXDQRUGSM-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.23
Rot. Bonds4

About 4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 65117831) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID65117831
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCC2(O)CCC(C)CC2)c1N
InChIInChI=1S/C14H24N4O2/c1-3-10-11(15)12(18-17-10)13(19)16-8-14(20)6-4-9(2)5-7-14/h9,20H,3-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyXKQRLKXDQRUGSM-UHFFFAOYSA-N
XLogP1.23
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-5-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 114143262
4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 55034049
4-amino-N-(2,2-dimethylcyclopropyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62081497
4-amino-5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide
CID 106208216
(1-hydroxy-4-methylcyclohexyl)methylurea
CID 65121718
4-amino-N-(5-amino-5-oxopentyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 114161696
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 81134167
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 55034385
4-amino-5-ethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62081121
4-amino-5-ethyl-N-(2-methylprop-2-enyl)-1H-pyrazole-3-carboxamide
CID 114615036
5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 65119545
4-amino-5-ethyl-N-(3,3,5,5-tetramethylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 103965110

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide (CID 65117831) is 4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCC2(O)CCC(C)CC2)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is XKQRLKXDQRUGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-10-11(15)12(18-17-10)13(19)16-8-14(20)6-4-9(2)5-7-14/h9,20H,3-8,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65117831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).