tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate

C17H30N4O2 — CID 103845092

IUPACtert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
SMILESCCn1nccc1CNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N4O2/c1-5-21-15(10-11-19-21)12-18-13-6-8-14(9-7-13)20-16(22)23-17(2,3)4/h10-11,13-14,18H,5-9,12H2,1-4H3,(H,20,22)
InChIKeyWNGQWIFILKQWOE-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.83
Rot. Bonds5

About tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate

tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate (PubChem CID 103845092) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
PubChem CID103845092
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
SMILESCCn1nccc1CNC1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N4O2/c1-5-21-15(10-11-19-21)12-18-13-6-8-14(9-7-13)20-16(22)23-17(2,3)4/h10-11,13-14,18H,5-9,12H2,1-4H3,(H,20,22)
InChIKeyWNGQWIFILKQWOE-UHFFFAOYSA-N
XLogP2.83
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
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tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 129429197
tert-butyl N-[(1S,2R)-2-[(2-methylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 99599015
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103741068
tert-butyl N-[4-[(3-methyl-2-pyridinyl)methylamino]cyclohexyl]carbamate
CID 58997040
N-[(2-ethylpyrazol-3-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 115761672
tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]butyl]carbamate
CID 107251304
tert-butyl N-[4-[(5-methyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]carbamate
CID 103948517
tert-butyl N-[5-[(2-ethylpyrazol-3-yl)methylamino]-2-pyridinyl]carbamate
CID 103845203
tert-butyl N-[3-(1,2-oxazol-5-ylmethylamino)cyclopentyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate (CID 103845092) is tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate is CCn1nccc1CNC1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate?
The InChIKey is WNGQWIFILKQWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-21-15(10-11-19-21)12-18-13-6-8-14(9-7-13)20-16(22)23-17(2,3)4/h10-11,13-14,18H,5-9,12H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate?
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate is sourced from PubChem (CID 103845092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).