3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

C15H25N7 — CID 123402948

IUPAC3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCC(N(C)C)C1
InChIInChI=1S/C15H25N7/c1-4-5-11-8-15(20-19-11)18-13(16)9-14(17)22-7-6-12(10-22)21(2)3/h4-5,8,12,17H,6-7,9-10H2,1-3H3,(H3,16,18,19,20)/b5-4+,17-14-
InChIKeyHQYXPUMPLDFMMZ-FGSKUBAKSA-N
MW303.41 g/mol
LogP1.43
Rot. Bonds5

About 3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide

3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (PubChem CID 123402948) has the molecular formula C15H25N7 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
PubChem CID123402948
Molecular FormulaC15H25N7
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC Name3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCC(N(C)C)C1
InChIInChI=1S/C15H25N7/c1-4-5-11-8-15(20-19-11)18-13(16)9-14(17)22-7-6-12(10-22)21(2)3/h4-5,8,12,17H,6-7,9-10H2,1-3H3,(H3,16,18,19,20)/b5-4+,17-14-
InChIKeyHQYXPUMPLDFMMZ-FGSKUBAKSA-N
XLogP1.43
TPSA97.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123693705
3-[4-(2-fluoroethyl)piperazin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123856406
3-(4-fluoropiperidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123901834
3-imino-3-(4-methylsulfonylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123138069
3-imino-3-(4-methylpiperazin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123139855
3-[3-(diethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123195825
3-(3-hydroxypyrrolidin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123196514
3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-3-thiomorpholin-4-ylpropanimidamide
CID 123220170
3-imino-3-(3-methoxypyrrolidin-1-yl)-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123232415
2-[4-[3-amino-3-[[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]imino]propanimidoyl]piperazin-1-yl]acetamide
CID 123256441
3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-3-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide
CID 123307908
3-(4-ethylpiperazin-1-yl)-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide
CID 123310452

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The IUPAC name of 3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide (CID 123402948) is 3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide.
What is the SMILES notation for 3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The canonical SMILES for 3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide is [H]/N=C(/C/C(N)=N/c1cc(/C=C/C)[nH]n1)N1CCC(N(C)C)C1.
What is the InChIKey of 3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
The InChIKey is HQYXPUMPLDFMMZ-FGSKUBAKSA-N. The full InChI is InChI=1S/C15H25N7/c1-4-5-11-8-15(20-19-11)18-13(16)9-14(17)22-7-6-12(10-22)21(2)3/h4-5,8,12,17H,6-7,9-10H2,1-3H3,(H3,16,18,19,20)/b5-4+,17-14-.
What are the key properties of 3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide?
3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide has a molecular weight of 303.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)pyrrolidin-1-yl]-3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanimidamide is sourced from PubChem (CID 123402948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).