(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate

C11H12N4O2 — CID 174915893

IUPAC(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate
SMILESCc1c(OC(N)=O)nn(-c2ccccc2)c1N
InChIInChI=1S/C11H12N4O2/c1-7-9(12)15(8-5-3-2-4-6-8)14-10(7)17-11(13)16/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyPIRMUCQWGAVCPT-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.22
Rot. Bonds2

About (5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate

(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate (PubChem CID 174915893) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is (5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate.

Molecular Properties

Compound Name(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate
PubChem CID174915893
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate
SMILESCc1c(OC(N)=O)nn(-c2ccccc2)c1N
InChIInChI=1S/C11H12N4O2/c1-7-9(12)15(8-5-3-2-4-6-8)14-10(7)17-11(13)16/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyPIRMUCQWGAVCPT-UHFFFAOYSA-N
XLogP1.22
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-2-methylpropan-2-ol
CID 71041362
5-amino-3-methoxy-1-phenylpyrazole-4-carboxamide
CID 16784714
5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
CID 151938609
(4-methyl-3-methylsulfonyl-1-phenylpyrazol-5-yl) carbamate
CID 175092021
[1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid
CID 90156211
(3R,4S)-4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-tert-butyl-3-fluoropyrrolidine-1-carboxylic acid
CID 90156231
2-[(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxymethyl]-1-methylpyridin-4-one
CID 134567855
tert-butyl N-[(2S)-1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxypropan-2-yl]carbamate
CID 131749930
4-(5-amino-4-methyl-1-phenylpyrazol-3-yl)benzoic acid
CID 145013429
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
4-amino-3-methyl-1-phenylpyrazole-5-carboxylic acid
CID 82393477
tert-butyl 6-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-1-azaspiro[3.3]heptane-1-carboxylate
CID 90155867

Frequently Asked Questions

What is the IUPAC name of (5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate?
The IUPAC name of (5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate (CID 174915893) is (5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate.
What is the SMILES notation for (5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate?
The canonical SMILES for (5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate is Cc1c(OC(N)=O)nn(-c2ccccc2)c1N.
What is the InChIKey of (5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate?
The InChIKey is PIRMUCQWGAVCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-9(12)15(8-5-3-2-4-6-8)14-10(7)17-11(13)16/h2-6H,12H2,1H3,(H2,13,16).
What are the key properties of (5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate?
(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate has a molecular weight of 232.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate is sourced from PubChem (CID 174915893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).