tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate

C16H27N3O2 — CID 174614220

IUPACtert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate
SMILESCCn1cc(NC2CCC(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C16H27N3O2/c1-5-19-11-14(10-17-19)18-13-8-6-12(7-9-13)15(20)21-16(2,3)4/h10-13,18H,5-9H2,1-4H3
InChIKeySAYVAKFDCOOJQA-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.22
Rot. Bonds4

About tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate

tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate (PubChem CID 174614220) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate
PubChem CID174614220
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nametert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate
SMILESCCn1cc(NC2CCC(C(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C16H27N3O2/c1-5-19-11-14(10-17-19)18-13-8-6-12(7-9-13)15(20)21-16(2,3)4/h10-13,18H,5-9H2,1-4H3
InChIKeySAYVAKFDCOOJQA-UHFFFAOYSA-N
XLogP3.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
CID 146598521
methyl 1-(1-isopropyl-1H-pyrazol-4-yl)-6-methyl-5-(3-oxobutyl)piperidine-3-carboxylate
CID 168300065
methyl 5-(3-ethoxy-3-oxopropyl)-1-(1-isopropyl-1H-pyrazol-4-yl)-6-methylpiperidine-3-carboxylate
CID 168300066
4-[[1-(2,2-Difluoroethyl)pyrazol-4-yl]amino]cyclohexane-1-carboxylic acid
CID 122029949
Methyl 2-(4-aminopyrazol-1-yl)-3-(oxan-4-yl)propanoate
CID 57964108
4-(4-Aminopyrazol-1-yl)cyclohexane-1-carboxylic acid
CID 84734302
4-(4-Amino-1H-pyrazol-1-yl)cyclohexanecarboxylic acid methyl ester
CID 118139317
Ethyl 4-(4-nitropyrazol-1-yl)cyclohexane-1-carboxylate
CID 118456668
Ethyl 4-(4-aminopyrazol-1-yl)cyclohexane-1-carboxylate
CID 118456724
4-[4-[(N'-methylcarbamimidoyl)amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 135294532
4-[4-(Methylamino)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 135294649
4-[4-[[Amino-(methylideneamino)methylidene]amino]pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 135294661

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate (CID 174614220) is tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate is CCn1cc(NC2CCC(C(=O)OC(C)(C)C)CC2)cn1.
What is the InChIKey of tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate?
The InChIKey is SAYVAKFDCOOJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-19-11-14(10-17-19)18-13-8-6-12(7-9-13)15(20)21-16(2,3)4/h10-13,18H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate?
tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate has a molecular weight of 293.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1-ethylpyrazol-4-yl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 174614220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).