4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

C13H15BrN4OS — CID 106033606

IUPAC4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)NCCc2ccc(Br)s2)n[nH]c1C1CC1
InChIInChI=1S/C13H15BrN4OS/c14-9-4-3-8(20-9)5-6-16-13(19)12-10(15)11(17-18-12)7-1-2-7/h3-4,7H,1-2,5-6,15H2,(H,16,19)(H,17,18)
InChIKeyZOMBSUWMWONZKQ-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.67
Rot. Bonds5

About 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide

4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (PubChem CID 106033606) has the molecular formula C13H15BrN4OS and a molecular weight of 355.26 g/mol. Its IUPAC name is 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
PubChem CID106033606
Molecular FormulaC13H15BrN4OS
Molecular Weight355.26 g/mol
Exact Mass354.01
IUPAC Name4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
SMILESNc1c(C(=O)NCCc2ccc(Br)s2)n[nH]c1C1CC1
InChIInChI=1S/C13H15BrN4OS/c14-9-4-3-8(20-9)5-6-16-13(19)12-10(15)11(17-18-12)7-1-2-7/h3-4,7H,1-2,5-6,15H2,(H,16,19)(H,17,18)
InChIKeyZOMBSUWMWONZKQ-UHFFFAOYSA-N
XLogP2.67
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide (CID 106033606) is 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is Nc1c(C(=O)NCCc2ccc(Br)s2)n[nH]c1C1CC1.
What is the InChIKey of 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZOMBSUWMWONZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4OS/c14-9-4-3-8(20-9)5-6-16-13(19)12-10(15)11(17-18-12)7-1-2-7/h3-4,7H,1-2,5-6,15H2,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide?
4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide has a molecular weight of 355.26 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106033606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).