3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide

C19H26N4O — CID 119530213

IUPAC3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCc1cnn(-c2ccccc2)c1)C1CCNC1
InChIInChI=1S/C19H26N4O/c1-2-12-22(18-10-11-20-14-18)19(24)9-8-16-13-21-23(15-16)17-6-4-3-5-7-17/h3-7,13,15,18,20H,2,8-12,14H2,1H3
InChIKeyBZXXBUOMRWAGQE-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.41
Rot. Bonds7

About 3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide

3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119530213) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119530213
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)CCc1cnn(-c2ccccc2)c1)C1CCNC1
InChIInChI=1S/C19H26N4O/c1-2-12-22(18-10-11-20-14-18)19(24)9-8-16-13-21-23(15-16)17-6-4-3-5-7-17/h3-7,13,15,18,20H,2,8-12,14H2,1H3
InChIKeyBZXXBUOMRWAGQE-UHFFFAOYSA-N
XLogP2.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119532209
2-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-yl-1,3-oxazole-4-carboxamide
CID 168858472
3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 62367590
4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119529856
1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119532202
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
3-naphthalen-2-yl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825837
2-(4-benzylpiperazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530332
N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119532441
2-(1-methylpyrazol-4-yl)-N-piperidin-4-yl-N-propylacetamide
CID 119823248
2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
CID 119424441
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531213

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 119530213) is 3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCN(C(=O)CCc1cnn(-c2ccccc2)c1)C1CCNC1.
What is the InChIKey of 3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is BZXXBUOMRWAGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-12-22(18-10-11-20-14-18)19(24)9-8-16-13-21-23(15-16)17-6-4-3-5-7-17/h3-7,13,15,18,20H,2,8-12,14H2,1H3.
What are the key properties of 3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide?
3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 326.44 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119530213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).