5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine

C11H13BrN4S — CID 107355298

IUPAC5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
SMILESBrc1csc(-c2cc(NC3CCNC3)n[nH]2)c1
InChIInChI=1S/C11H13BrN4S/c12-7-3-10(17-6-7)9-4-11(16-15-9)14-8-1-2-13-5-8/h3-4,6,8,13H,1-2,5H2,(H2,14,15,16)
InChIKeyXEYSLUKMCKTQAV-UHFFFAOYSA-N
MW313.22 g/mol
LogP2.67
Rot. Bonds3

About 5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine

5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine (PubChem CID 107355298) has the molecular formula C11H13BrN4S and a molecular weight of 313.22 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
PubChem CID107355298
Molecular FormulaC11H13BrN4S
Molecular Weight313.22 g/mol
Exact Mass312.00
IUPAC Name5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
SMILESBrc1csc(-c2cc(NC3CCNC3)n[nH]2)c1
InChIInChI=1S/C11H13BrN4S/c12-7-3-10(17-6-7)9-4-11(16-15-9)14-8-1-2-13-5-8/h3-4,6,8,13H,1-2,5H2,(H2,14,15,16)
InChIKeyXEYSLUKMCKTQAV-UHFFFAOYSA-N
XLogP2.67
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-pyrrolidin-3-yl-5-(1,3-thiazol-2-yl)-1H-pyrazol-3-amine
CID 114697887
5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine
CID 116974771
5-(furan-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698002
5-naphthalen-2-yl-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697920
5-(3,4-difluorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697923
5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71636366
5-(5-bromothiophen-2-yl)-N-cyclopropyl-1H-pyrazol-3-amine
CID 63049348
4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965371
5-(2,4-dichlorophenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697943
5-(2,5-dimethylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697982
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650
5-(4-methylsulfonylphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114697922

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine (CID 107355298) is 5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine is Brc1csc(-c2cc(NC3CCNC3)n[nH]2)c1.
What is the InChIKey of 5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
The InChIKey is XEYSLUKMCKTQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4S/c12-7-3-10(17-6-7)9-4-11(16-15-9)14-8-1-2-13-5-8/h3-4,6,8,13H,1-2,5H2,(H2,14,15,16).
What are the key properties of 5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine?
5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine has a molecular weight of 313.22 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 107355298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).