N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide

C19H23BrN4O — CID 139004157

IUPACN-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
SMILESCc1cnn(C2CCN(C(=O)NCC3(c4ccccc4Br)CC3)C2)c1
InChIInChI=1S/C19H23BrN4O/c1-14-10-22-24(11-14)15-6-9-23(12-15)18(25)21-13-19(7-8-19)16-4-2-3-5-17(16)20/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,21,25)
InChIKeyYPPXIXQDDGSPDH-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.64
Rot. Bonds4

About N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide

N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide (PubChem CID 139004157) has the molecular formula C19H23BrN4O and a molecular weight of 403.32 g/mol. Its IUPAC name is N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
PubChem CID139004157
Molecular FormulaC19H23BrN4O
Molecular Weight403.32 g/mol
Exact Mass402.11
IUPAC NameN-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide
SMILESCc1cnn(C2CCN(C(=O)NCC3(c4ccccc4Br)CC3)C2)c1
InChIInChI=1S/C19H23BrN4O/c1-14-10-22-24(11-14)15-6-9-23(12-15)18(25)21-13-19(7-8-19)16-4-2-3-5-17(16)20/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,21,25)
InChIKeyYPPXIXQDDGSPDH-UHFFFAOYSA-N
XLogP3.64
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide (CID 139004157) is N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide is Cc1cnn(C2CCN(C(=O)NCC3(c4ccccc4Br)CC3)C2)c1.
What is the InChIKey of N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide?
The InChIKey is YPPXIXQDDGSPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O/c1-14-10-22-24(11-14)15-6-9-23(12-15)18(25)21-13-19(7-8-19)16-4-2-3-5-17(16)20/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,21,25).
What are the key properties of N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide?
N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromophenyl)cyclopropyl]methyl]-3-(4-methylpyrazol-1-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 139004157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).