1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine

C15H19BrN4 — CID 119114328

IUPAC1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCn1cc(CNC2CCN(c3ccc(Br)cc3)C2)cn1
InChIInChI=1S/C15H19BrN4/c1-19-10-12(9-18-19)8-17-14-6-7-20(11-14)15-4-2-13(16)3-5-15/h2-5,9-10,14,17H,6-8,11H2,1H3
InChIKeyREUWRFHPHNFGRU-UHFFFAOYSA-N
MW335.25 g/mol
LogP2.55
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine

1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 119114328) has the molecular formula C15H19BrN4 and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID119114328
Molecular FormulaC15H19BrN4
Molecular Weight335.25 g/mol
Exact Mass334.08
IUPAC Name1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCn1cc(CNC2CCN(c3ccc(Br)cc3)C2)cn1
InChIInChI=1S/C15H19BrN4/c1-19-10-12(9-18-19)8-17-14-6-7-20(11-14)15-4-2-13(16)3-5-15/h2-5,9-10,14,17H,6-8,11H2,1H3
InChIKeyREUWRFHPHNFGRU-UHFFFAOYSA-N
XLogP2.55
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-chloro-4-fluorophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97340201
N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 61351170
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111917942
4-[[[1-(4-bromophenyl)pyrrolidin-3-yl]amino]methyl]benzoic acid
CID 122031026
N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675359
(4-ethylpiperazin-1-yl)-[4-[4-[(1-methylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]methanone
CID 42278318
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625881
N-[(1-methylpyrazol-4-yl)methyl]bicyclo[3.1.0]hexan-3-amine
CID 130791747
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 130171522
N-[(1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 63335876
(3S)-1-(2,6-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97055718
N-[(4-bromo-2-fluorophenyl)methyl]-1-(6-fluoro-3-pyridinyl)pyrrolidin-3-amine;hydrochloride
CID 68963775

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine (CID 119114328) is 1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine is Cn1cc(CNC2CCN(c3ccc(Br)cc3)C2)cn1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is REUWRFHPHNFGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4/c1-19-10-12(9-18-19)8-17-14-6-7-20(11-14)15-4-2-13(16)3-5-15/h2-5,9-10,14,17H,6-8,11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 335.25 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 119114328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).