1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide

C17H24N8 — CID 123809859

IUPAC1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
SMILESC/C=C/c1cc(/N=C(\N)C/C(N)=N/CCN(C)c2cccnc2)n[nH]1
InChIInChI=1S/C17H24N8/c1-3-5-13-10-17(24-23-13)22-16(19)11-15(18)21-8-9-25(2)14-6-4-7-20-12-14/h3-7,10,12H,8-9,11H2,1-2H3,(H2,18,21)(H3,19,22,23,24)/b5-3+
InChIKeyZWDBVWRTCPRYRD-HWKANZROSA-N
MW340.44 g/mol
LogP1.71
Rot. Bonds8

About 1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide

1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide (PubChem CID 123809859) has the molecular formula C17H24N8 and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide.

Molecular Properties

Compound Name1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
PubChem CID123809859
Molecular FormulaC17H24N8
Molecular Weight340.44 g/mol
Exact Mass340.21
IUPAC Name1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
SMILESC/C=C/c1cc(/N=C(\N)C/C(N)=N/CCN(C)c2cccnc2)n[nH]1
InChIInChI=1S/C17H24N8/c1-3-5-13-10-17(24-23-13)22-16(19)11-15(18)21-8-9-25(2)14-6-4-7-20-12-14/h3-7,10,12H,8-9,11H2,1-2H3,(H2,18,21)(H3,19,22,23,24)/b5-3+
InChIKeyZWDBVWRTCPRYRD-HWKANZROSA-N
XLogP1.71
TPSA121.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-Methyl-1-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 735132
5-Pyridin-3-yl-2H-pyrazol-3-ylamine
CID 7446899
2-(1H-Pyrazol-3-Yl)Pyridine
CID 2797657
4-(pyridin-4-yldiazenyl)-1H-pyrazole-3,5-diamine
CID 135744101
Pyridine, 2-(4-aminopyrazol-1-yl)-
CID 206681
Pyridine, 4-(4-aminopyrazol-1-yl)-
CID 206684
1-((pyridin-2-yl)methyl)-1H-pyrazol-5-amine
CID 2565951
3-(pyridin-2-yl)-1H-pyrazol-5-amine
CID 6484152
N-methyl-N-[(5-methyl-3-pyridin-3-yl-1H-pyrazol-4-yl)diazenyl]methanamine
CID 275986
1-Methyl-4-(pyridin-4-yldiazenyl)pyrazole-3,5-diamine
CID 136961394
3-(4-methyl-1,4-diazepan-1-yl)-5-(1H-pyrazol-3-yl)pyrazin-2-amine
CID 11716019
Pyridine, 3-(4-aminopyrazol-1-yl)-
CID 206682

Frequently Asked Questions

What is the IUPAC name of 1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
The IUPAC name of 1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide (CID 123809859) is 1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide.
What is the SMILES notation for 1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
The canonical SMILES for 1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide is C/C=C/c1cc(/N=C(\N)C/C(N)=N/CCN(C)c2cccnc2)n[nH]1.
What is the InChIKey of 1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
The InChIKey is ZWDBVWRTCPRYRD-HWKANZROSA-N. The full InChI is InChI=1S/C17H24N8/c1-3-5-13-10-17(24-23-13)22-16(19)11-15(18)21-8-9-25(2)14-6-4-7-20-12-14/h3-7,10,12H,8-9,11H2,1-2H3,(H2,18,21)(H3,19,22,23,24)/b5-3+.
What are the key properties of 1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide?
1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide has a molecular weight of 340.44 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide is sourced from PubChem (CID 123809859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).