tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate

C17H30N4O2 — CID 103695436

IUPACtert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate
SMILESCc1[nH]ncc1CNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-12-14(11-20-21-12)10-18-15-8-6-5-7-13(15)9-19-16(22)23-17(2,3)4/h11,13,15,18H,5-10H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyLIQCBIODNNVYJK-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.89
Rot. Bonds5

About tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate

tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate (PubChem CID 103695436) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate
PubChem CID103695436
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate
SMILESCc1[nH]ncc1CNC1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C17H30N4O2/c1-12-14(11-20-21-12)10-18-15-8-6-5-7-13(15)9-19-16(22)23-17(2,3)4/h11,13,15,18H,5-10H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyLIQCBIODNNVYJK-UHFFFAOYSA-N
XLogP2.89
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103947994
tert-butyl N-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]carbamate
CID 103720141
tert-butyl N-[[2-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103275588
tert-butyl N-[[2-(1,2,4-oxadiazol-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 106393408
tert-butyl N-[[2-(piperidin-2-ylmethylamino)cyclopentyl]methyl]carbamate
CID 107251466
tert-butyl N-[[2-(1,2-oxazol-5-ylmethylamino)cyclohexyl]methyl]carbamate
CID 104926974
tert-butyl N-[[2-[(5-chlorothiophen-2-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695515
tert-butyl N-[[2-(1,2-oxazol-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103775229
tert-butyl N-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 102673272
tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695771
tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate
CID 113242210
tert-butyl N-[[2-[(3-methylimidazol-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103700564

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate (CID 103695436) is tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate is Cc1[nH]ncc1CNC1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate?
The InChIKey is LIQCBIODNNVYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-12-14(11-20-21-12)10-18-15-8-6-5-7-13(15)9-19-16(22)23-17(2,3)4/h11,13,15,18H,5-10H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 103695436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).