3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide

C18H23BrN4O — CID 155963075

IUPAC3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
SMILESCc1cccc(CN2CCC(NC(=O)CCn3cc(Br)cn3)C2)c1
InChIInChI=1S/C18H23BrN4O/c1-14-3-2-4-15(9-14)11-22-7-5-17(13-22)21-18(24)6-8-23-12-16(19)10-20-23/h2-4,9-10,12,17H,5-8,11,13H2,1H3,(H,21,24)
InChIKeyCGXNZVNHPOJENZ-UHFFFAOYSA-N
MW391.31 g/mol
LogP2.73
Rot. Bonds6

About 3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide

3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide (PubChem CID 155963075) has the molecular formula C18H23BrN4O and a molecular weight of 391.31 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
PubChem CID155963075
Molecular FormulaC18H23BrN4O
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC Name3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
SMILESCc1cccc(CN2CCC(NC(=O)CCn3cc(Br)cn3)C2)c1
InChIInChI=1S/C18H23BrN4O/c1-14-3-2-4-15(9-14)11-22-7-5-17(13-22)21-18(24)6-8-23-12-16(19)10-20-23/h2-4,9-10,12,17H,5-8,11,13H2,1H3,(H,21,24)
InChIKeyCGXNZVNHPOJENZ-UHFFFAOYSA-N
XLogP2.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55845430
3-(4-bromopyrazol-1-yl)-N-cyclohexylpropanamide
CID 19561744
3-(3-methylphenyl)-N-[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]propanamide
CID 95628573
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-(1-benzylpyrrolidin-3-yl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 55378288
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 46482174
3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 1231856
2-(4-fluorophenyl)sulfanyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55745273
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide (CID 155963075) is 3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide is Cc1cccc(CN2CCC(NC(=O)CCn3cc(Br)cn3)C2)c1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide?
The InChIKey is CGXNZVNHPOJENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O/c1-14-3-2-4-15(9-14)11-22-7-5-17(13-22)21-18(24)6-8-23-12-16(19)10-20-23/h2-4,9-10,12,17H,5-8,11,13H2,1H3,(H,21,24).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide?
3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide has a molecular weight of 391.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 155963075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).