tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate

C15H26N4O2 — CID 175178885

IUPACtert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate
SMILESCc1cc(N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)n[nH]1
InChIInChI=1S/C15H26N4O2/c1-10-9-13(19-18-10)16-11-7-5-6-8-12(11)17-14(20)21-15(2,3)4/h9,11-12H,5-8H2,1-4H3,(H,17,20)(H2,16,18,19)/t11-,12+/m1/s1
InChIKeyPPEKTFCSYRSKAJ-NEPJUHHUSA-N
MW294.40 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate

tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate (PubChem CID 175178885) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate
PubChem CID175178885
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nametert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate
SMILESCc1cc(N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)n[nH]1
InChIInChI=1S/C15H26N4O2/c1-10-9-13(19-18-10)16-11-7-5-6-8-12(11)17-14(20)21-15(2,3)4/h9,11-12H,5-8H2,1-4H3,(H,17,20)(H2,16,18,19)/t11-,12+/m1/s1
InChIKeyPPEKTFCSYRSKAJ-NEPJUHHUSA-N
XLogP2.97
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S,2S)-2-[(3-bromo-5-methyl-2-pyridinyl)amino]cyclopentyl]carbamate
CID 118317030
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[2-(pyridine-2-carbonylamino)cyclohexyl]carbamate
CID 22986749
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[(1R,2R)-2-(2-aminoanilino)cyclohexyl]carbamate
CID 134843665
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]acetic acid
CID 21251921
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate
CID 75441287
tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 87320947

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate (CID 175178885) is tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate is Cc1cc(N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)n[nH]1.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate?
The InChIKey is PPEKTFCSYRSKAJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-10-9-13(19-18-10)16-11-7-5-6-8-12(11)17-14(20)21-15(2,3)4/h9,11-12H,5-8H2,1-4H3,(H,17,20)(H2,16,18,19)/t11-,12+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate?
tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate has a molecular weight of 294.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-[(5-methyl-1H-pyrazol-3-yl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 175178885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).