tert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate

C17H30N4O2 — CID 107256167

IUPACtert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate
SMILESCC1CCC(NCc2cn[nH]c2NC(=O)OC(C)(C)C)C(C)C1
InChIInChI=1S/C17H30N4O2/c1-11-6-7-14(12(2)8-11)18-9-13-10-19-21-15(13)20-16(22)23-17(3,4)5/h10-12,14,18H,6-9H2,1-5H3,(H2,19,20,21,22)
InChIKeyGSPQNQDVANCYEZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.67
Rot. Bonds4

About tert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate

tert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate (PubChem CID 107256167) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate
PubChem CID107256167
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate
SMILESCC1CCC(NCc2cn[nH]c2NC(=O)OC(C)(C)C)C(C)C1
InChIInChI=1S/C17H30N4O2/c1-11-6-7-14(12(2)8-11)18-9-13-10-19-21-15(13)20-16(22)23-17(3,4)5/h10-12,14,18H,6-9H2,1-5H3,(H2,19,20,21,22)
InChIKeyGSPQNQDVANCYEZ-UHFFFAOYSA-N
XLogP3.67
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[[(2,5-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256093
tert-butyl N-[4-[[(2,4,5-trifluorophenyl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 114058013
tert-butyl N-[4-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256000
tert-butyl N-[4-[(pentylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255997
tert-butyl N-[4-[(oxan-3-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107256057
tert-butyl N-[4-[(pyridin-4-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255989
tert-butyl N-[4-[[(3-methyloxetan-3-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256114
tert-butyl N-[4-[(1-phenylethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107255950
tert-butyl N-[4-[(pyridin-2-ylmethylamino)methyl]-1H-pyrazol-5-yl]carbamate
CID 107256122
tert-butyl N-[5-[(2,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243179
tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695436
tert-butyl N-[4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256004

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate (CID 107256167) is tert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate is CC1CCC(NCc2cn[nH]c2NC(=O)OC(C)(C)C)C(C)C1.
What is the InChIKey of tert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate?
The InChIKey is GSPQNQDVANCYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-11-6-7-14(12(2)8-11)18-9-13-10-19-21-15(13)20-16(22)23-17(3,4)5/h10-12,14,18H,6-9H2,1-5H3,(H2,19,20,21,22).
What are the key properties of tert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate?
tert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[(2,4-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate is sourced from PubChem (CID 107256167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).