[(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate

C12H21N3O2 — CID 155208509

IUPAC[(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate
SMILESCC(C)[C@H](C)CCOC(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H21N3O2/c1-9(2)10(3)6-8-17-12(16)13-11-5-7-15(4)14-11/h5,7,9-10H,6,8H2,1-4H3,(H,13,14,16)/t10-/m1/s1
InChIKeyUQHCSYLVXSIDJF-SNVBAGLBSA-N
MW239.32 g/mol
LogP2.65
Rot. Bonds5

About [(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate

[(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate (PubChem CID 155208509) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Name[(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate
PubChem CID155208509
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate
SMILESCC(C)[C@H](C)CCOC(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H21N3O2/c1-9(2)10(3)6-8-17-12(16)13-11-5-7-15(4)14-11/h5,7,9-10H,6,8H2,1-4H3,(H,13,14,16)/t10-/m1/s1
InChIKeyUQHCSYLVXSIDJF-SNVBAGLBSA-N
XLogP2.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(1-methylpyrazol-3-yl)carbamate
CID 12774707
(2R)-2-amino-N-(1-methylpyrazol-3-yl)propanamide
CID 78971987
2-bromo-3-methyl-N-(1-methylpyrazol-3-yl)butanamide
CID 60810457
(2S)-2-amino-N-(1-methylpyrazol-3-yl)pentanamide
CID 93313980
methyl 2-[(1-methylpyrazol-3-yl)amino]propanoate
CID 66174339
3,3-difluoro-N-(1-methylpyrazol-3-yl)propanamide
CID 177229835
2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 80540855
ethyl 4-[(1-methylpyrazol-3-yl)carbamoyl]piperazine-1-carboxylate
CID 60617047
methyl 2-methyl-4-[(1-methylpyrazol-3-yl)amino]pentanoate
CID 104646481
(2S)-2-ethoxy-N-(1-methylpyrazol-3-yl)butanamide
CID 94181328
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(1-methylpyrazol-3-yl)amino]-4-oxobutanoate
CID 118061279
N-(1-methylpyrazol-3-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 18152526

Frequently Asked Questions

What is the IUPAC name of [(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate?
The IUPAC name of [(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate (CID 155208509) is [(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate.
What is the SMILES notation for [(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate?
The canonical SMILES for [(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate is CC(C)[C@H](C)CCOC(=O)Nc1ccn(C)n1.
What is the InChIKey of [(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate?
The InChIKey is UQHCSYLVXSIDJF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)10(3)6-8-17-12(16)13-11-5-7-15(4)14-11/h5,7,9-10H,6,8H2,1-4H3,(H,13,14,16)/t10-/m1/s1.
What are the key properties of [(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate?
[(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate has a molecular weight of 239.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3,4-dimethylpentyl] N-(1-methylpyrazol-3-yl)carbamate is sourced from PubChem (CID 155208509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).