3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine

C16H23N5 — CID 76873394

IUPAC3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
SMILESc1ccc(C2NNCC2CNCCCn2ccnc2)cc1
InChIInChI=1S/C16H23N5/c1-2-5-14(6-3-1)16-15(12-19-20-16)11-17-7-4-9-21-10-8-18-13-21/h1-3,5-6,8,10,13,15-17,19-20H,4,7,9,11-12H2
InChIKeyHORGQZLRCJYIJE-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.33
Rot. Bonds7

About 3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine

3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine (PubChem CID 76873394) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
PubChem CID76873394
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
SMILESc1ccc(C2NNCC2CNCCCn2ccnc2)cc1
InChIInChI=1S/C16H23N5/c1-2-5-14(6-3-1)16-15(12-19-20-16)11-17-7-4-9-21-10-8-18-13-21/h1-3,5-6,8,10,13,15-17,19-20H,4,7,9,11-12H2
InChIKeyHORGQZLRCJYIJE-UHFFFAOYSA-N
XLogP1.33
TPSA53.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylpropoxy)-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine
CID 76873711
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 63683145
3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 17156318
1-(4-imidazol-1-ylbutyl)-3-[(2-phenylcyclopropyl)methyl]urea
CID 71931711
4-imidazol-1-yl-N-(naphthalen-2-ylmethyl)butan-1-amine
CID 61071099
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]propan-1-amine;oxalic acid
CID 17052939
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79978907
N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 28833124
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine (CID 76873394) is 3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine is c1ccc(C2NNCC2CNCCCn2ccnc2)cc1.
What is the InChIKey of 3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine?
The InChIKey is HORGQZLRCJYIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-5-14(6-3-1)16-15(12-19-20-16)11-17-7-4-9-21-10-8-18-13-21/h1-3,5-6,8,10,13,15-17,19-20H,4,7,9,11-12H2.
What are the key properties of 3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine?
3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 1.33, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[(3-phenylpyrazolidin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 76873394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).