(4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone

C14H15BrN4O — CID 63103415

IUPAC(4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone
SMILESNc1cn[nH]c1C(=O)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C14H15BrN4O/c15-10-4-1-3-9(7-10)12-5-2-6-19(12)14(20)13-11(16)8-17-18-13/h1,3-4,7-8,12H,2,5-6,16H2,(H,17,18)
InChIKeyFXUZIJNIBNENOQ-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.73
Rot. Bonds2

About (4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone

(4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone (PubChem CID 63103415) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is (4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone
PubChem CID63103415
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name(4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone
SMILESNc1cn[nH]c1C(=O)N1CCCC1c1cccc(Br)c1
InChIInChI=1S/C14H15BrN4O/c15-10-4-1-3-9(7-10)12-5-2-6-19(12)14(20)13-11(16)8-17-18-13/h1,3-4,7-8,12H,2,5-6,16H2,(H,17,18)
InChIKeyFXUZIJNIBNENOQ-UHFFFAOYSA-N
XLogP2.73
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63007252
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 81128440
3-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one
CID 54872368
(4-amino-1H-pyrazol-5-yl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 55178599
[2-(3-bromophenyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 66484320
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913404
3-[(2S)-2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95286779
5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 60958795
3-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119291405
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
(3-aminocyclohexyl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119727217
[2-(3-bromophenyl)pyrrolidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 55888696

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone (CID 63103415) is (4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone is Nc1cn[nH]c1C(=O)N1CCCC1c1cccc(Br)c1.
What is the InChIKey of (4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is FXUZIJNIBNENOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c15-10-4-1-3-9(7-10)12-5-2-6-19(12)14(20)13-11(16)8-17-18-13/h1,3-4,7-8,12H,2,5-6,16H2,(H,17,18).
What are the key properties of (4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone?
(4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 335.21 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrazol-5-yl)-[2-(3-bromophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 63103415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).