1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate

C11H11BrN4O3S — CID 68807448

IUPAC1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate
SMILESCc1sc(C(=O)NN(C)C(=O)Oc2ccn[nH]2)cc1Br
InChIInChI=1S/C11H11BrN4O3S/c1-6-7(12)5-8(20-6)10(17)15-16(2)11(18)19-9-3-4-13-14-9/h3-5H,1-2H3,(H,13,14)(H,15,17)
InChIKeyWCNDKUKNFJDGFZ-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.32
Rot. Bonds2

About 1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate

1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate (PubChem CID 68807448) has the molecular formula C11H11BrN4O3S and a molecular weight of 359.21 g/mol. Its IUPAC name is 1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate.

Molecular Properties

Compound Name1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate
PubChem CID68807448
Molecular FormulaC11H11BrN4O3S
Molecular Weight359.21 g/mol
Exact Mass357.97
IUPAC Name1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate
SMILESCc1sc(C(=O)NN(C)C(=O)Oc2ccn[nH]2)cc1Br
InChIInChI=1S/C11H11BrN4O3S/c1-6-7(12)5-8(20-6)10(17)15-16(2)11(18)19-9-3-4-13-14-9/h3-5H,1-2H3,(H,13,14)(H,15,17)
InChIKeyWCNDKUKNFJDGFZ-UHFFFAOYSA-N
XLogP2.32
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-dibromo-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 61393424
CID 174155754
CID 174155754
4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide
CID 47235838
(4-bromo-5-methylthiophen-2-yl)-(3-iodothiophen-2-yl)methanone
CID 130576016
(4-bromo-5-methylthiophen-2-yl)-(3-ethylthiophen-2-yl)methanone
CID 102826534
(4-bromo-3-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanone
CID 102826520
4,5-dibromo-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 78941963
5-ethyl-4-methyl-N-(1H-pyrazol-5-yl)thiophene-2-carboxamide
CID 61393539
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
CID 80536511
(4-bromo-5-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102826619
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
CID 9179994
(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone
CID 102826466

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate?
The IUPAC name of 1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate (CID 68807448) is 1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate.
What is the SMILES notation for 1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate?
The canonical SMILES for 1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate is Cc1sc(C(=O)NN(C)C(=O)Oc2ccn[nH]2)cc1Br.
What is the InChIKey of 1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate?
The InChIKey is WCNDKUKNFJDGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3S/c1-6-7(12)5-8(20-6)10(17)15-16(2)11(18)19-9-3-4-13-14-9/h3-5H,1-2H3,(H,13,14)(H,15,17).
What are the key properties of 1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate?
1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate has a molecular weight of 359.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl N-[(4-bromo-5-methylthiophene-2-carbonyl)amino]-N-methylcarbamate is sourced from PubChem (CID 68807448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).