N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide

C16H27N3O2 — CID 111115383

IUPACN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(O)CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H27N3O2/c1-15(2,3)13-5-7-16(21,8-6-13)11-17-14(20)12-9-18-19(4)10-12/h9-10,13,21H,5-8,11H2,1-4H3,(H,17,20)
InChIKeyFPFAHJFRCMNRLT-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.12
Rot. Bonds3

About N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide

N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 111115383) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID111115383
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCC2(O)CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C16H27N3O2/c1-15(2,3)13-5-7-16(21,8-6-13)11-17-14(20)12-9-18-19(4)10-12/h9-10,13,21H,5-8,11H2,1-4H3,(H,17,20)
InChIKeyFPFAHJFRCMNRLT-UHFFFAOYSA-N
XLogP2.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(1-propoxycyclohexyl)methyl]pyrazole-4-carboxamide
CID 71979184
N-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 126813204
N-[[(1S)-1-hydroxy-2,2-dimethylcyclopentyl]methyl]-1-propylpyrazole-4-carboxamide
CID 164632785
1-cyclopropyl-N-[[4-(difluoromethyl)-1-methoxycyclohexyl]methyl]pyrazole-4-carboxamide
CID 137880430
N-[2,2-difluoro-2-(1-hydroxycyclohexyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 138022380
N-(4-tert-butyl-4-propan-2-ylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 122679853
N-(4-tert-butyl-4-methylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 130233599
1-[2-hydroxy-2-[(2R,5R,7R,11S,14S,15S)-5-hydroxy-2,5,15-trimethyl-14-tetracyclo[8.7.2.02,7.011,15]nonadecanyl]ethyl]-N-methylpyrazole-4-carboxamide
CID 163703841
N~4~-[4-(Tert-butyl)cyclohexyl]-1-ethyl-1H-pyrazole-4-carboxamide
CID 4772695
1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide
CID 18154690
N-[1-[(1-hydroxycyclohexyl)methyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47557085
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 56787807

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide (CID 111115383) is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NCC2(O)CCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is FPFAHJFRCMNRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-15(2,3)13-5-7-16(21,8-6-13)11-17-14(20)12-9-18-19(4)10-12/h9-10,13,21H,5-8,11H2,1-4H3,(H,17,20).
What are the key properties of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide?
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 111115383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).