N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide

C17H28N4O — CID 119474690

IUPACN-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)NC2CCC(N)CC2)cc1C1CC1
InChIInChI=1S/C17H28N4O/c1-17(2,3)21-15(11-4-5-11)10-14(20-21)16(22)19-13-8-6-12(18)7-9-13/h10-13H,4-9,18H2,1-3H3,(H,19,22)
InChIKeyLIYSRXSMJSHZJV-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.52
Rot. Bonds3

About N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide

N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide (PubChem CID 119474690) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
PubChem CID119474690
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
SMILESCC(C)(C)n1nc(C(=O)NC2CCC(N)CC2)cc1C1CC1
InChIInChI=1S/C17H28N4O/c1-17(2,3)21-15(11-4-5-11)10-14(20-21)16(22)19-13-8-6-12(18)7-9-13/h10-13H,4-9,18H2,1-3H3,(H,19,22)
InChIKeyLIYSRXSMJSHZJV-UHFFFAOYSA-N
XLogP2.52
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119455407
N-[2-(aminomethyl)cyclopentyl]-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119600843
1-tert-butyl-5-cyclopropyl-N-[2-(ethylamino)ethyl]pyrazole-3-carboxamide
CID 119504913
1-tert-butyl-5-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]pyrazole-3-carboxamide
CID 94517659
1-tert-butyl-5-cyclopropyl-N-(2-methylpiperidin-3-yl)pyrazole-3-carboxamide;hydrochloride
CID 120577098
2-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]-2-cyclopropylacetic acid
CID 119214078
1-tert-butyl-N-(4-hydroxycyclohexyl)-5-propan-2-ylpyrazole-3-carboxamide
CID 110895136
1-tert-butyl-5-cyclopropyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyrazole-3-carboxamide
CID 111436087
methyl 6-[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]hexanoate
CID 51085909
1-tert-butyl-5-cyclopropyl-N-[(3-hydroxycyclohexyl)methyl]pyrazole-3-carboxamide
CID 111460279
(1-tert-butyl-5-cyclopropylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 119400332
N-(4-aminocyclohexyl)-1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119478999

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide (CID 119474690) is N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide is CC(C)(C)n1nc(C(=O)NC2CCC(N)CC2)cc1C1CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
The InChIKey is LIYSRXSMJSHZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-17(2,3)21-15(11-4-5-11)10-14(20-21)16(22)19-13-8-6-12(18)7-9-13/h10-13H,4-9,18H2,1-3H3,(H,19,22).
What are the key properties of N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide?
N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide is sourced from PubChem (CID 119474690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).