4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide

C12H16BrN5O — CID 64530027

IUPAC4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C12H16BrN5O/c1-2-5-18-7-9(13)6-10(18)12(19)14-4-3-11-15-8-16-17-11/h6-8H,2-5H2,1H3,(H,14,19)(H,15,16,17)
InChIKeyIEMVPAUHHGQQAC-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.75
Rot. Bonds6

About 4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide

4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 64530027) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
PubChem CID64530027
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C12H16BrN5O/c1-2-5-18-7-9(13)6-10(18)12(19)14-4-3-11-15-8-16-17-11/h6-8H,2-5H2,1H3,(H,14,19)(H,15,16,17)
InChIKeyIEMVPAUHHGQQAC-UHFFFAOYSA-N
XLogP1.75
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 64545994
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 103007206
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
4-bromo-N-[2-(4-hydroxyphenyl)ethyl]-1-propylpyrrole-2-carboxamide
CID 61018298
4-bromo-N-[3-(dimethylamino)-3-oxopropyl]-1-propylpyrrole-2-carboxamide
CID 54934711
4-bromo-N-(5-bromo-2-pyridinyl)-1-propylpyrrole-2-carboxamide
CID 43641337
4-bromo-1-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971697
4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641423
4-bromo-N-[3-(butan-2-ylamino)-3-oxopropyl]-1-propylpyrrole-2-carboxamide
CID 61022215
1-methyl-2-oxo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 64532003
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide (CID 64530027) is 4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is IEMVPAUHHGQQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c1-2-5-18-7-9(13)6-10(18)12(19)14-4-3-11-15-8-16-17-11/h6-8H,2-5H2,1H3,(H,14,19)(H,15,16,17).
What are the key properties of 4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide?
4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 326.20 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 64530027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).