1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine

C11H18N4 — CID 174348098

IUPAC1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine
SMILESC=C/C=C(/c1cn[nH]c1)N(C)C(C)NC
InChIInChI=1S/C11H18N4/c1-5-6-11(10-7-13-14-8-10)15(4)9(2)12-3/h5-9,12H,1H2,2-4H3,(H,13,14)/b11-6-
InChIKeyJIJBWDLXHLQNSQ-WDZFZDKYSA-N
MW206.29 g/mol
LogP1.43
Rot. Bonds5

About 1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine

1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine (PubChem CID 174348098) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine
PubChem CID174348098
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine
SMILESC=C/C=C(/c1cn[nH]c1)N(C)C(C)NC
InChIInChI=1S/C11H18N4/c1-5-6-11(10-7-13-14-8-10)15(4)9(2)12-3/h5-9,12H,1H2,2-4H3,(H,13,14)/b11-6-
InChIKeyJIJBWDLXHLQNSQ-WDZFZDKYSA-N
XLogP1.43
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-4-methyl-3-[methylamino(1H-pyrazol-4-yl)methylidene]pentan-2-one
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N-methyl-1-(1H-pyrazol-4-yl)ethenamine
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N-propan-2-yl-1H-pyrazole-4-carboxamide
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4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazole
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4-[(2E,4E)-5,6-dimethylhepta-2,4-dien-2-yl]-1H-pyrazole
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1-(1H-pyrazol-4-yl)prop-2-en-1-one
CID 130572968
N,N-dimethyl-1H-pyrazole-4-carbothioamide
CID 172757828
4-penta-1,3-dien-2-yl-1H-pyrazole
CID 123880158
N-[4-[1-(methylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 63085076
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 115302661

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine (CID 174348098) is 1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine is C=C/C=C(/c1cn[nH]c1)N(C)C(C)NC.
What is the InChIKey of 1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine?
The InChIKey is JIJBWDLXHLQNSQ-WDZFZDKYSA-N. The full InChI is InChI=1S/C11H18N4/c1-5-6-11(10-7-13-14-8-10)15(4)9(2)12-3/h5-9,12H,1H2,2-4H3,(H,13,14)/b11-6-.
What are the key properties of 1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine?
1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dimethyl-1-N'-[(1Z)-1-(1H-pyrazol-4-yl)buta-1,3-dienyl]ethane-1,1-diamine is sourced from PubChem (CID 174348098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).