(Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide

C19H26N8 — CID 178158762

IUPAC(Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide
SMILES[H]/N=C(\N=C(/C)N)C(/C)=C\C(=N\[H])c1cc(C2CC2c2cnn(C)c2)nn1CC
InChIInChI=1S/C19H26N8/c1-5-27-18(16(21)6-11(2)19(22)24-12(3)20)8-17(25-27)15-7-14(15)13-9-23-26(4)10-13/h6,8-10,14-15,21H,5,7H2,1-4H3,(H3,20,22,24)/b11-6-,21-16-
InChIKeyJQBGLPZQQOFUNH-AZWCISCYSA-N
MW366.47 g/mol
LogP2.58
Rot. Bonds6

About (Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide

(Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide (PubChem CID 178158762) has the molecular formula C19H26N8 and a molecular weight of 366.47 g/mol. Its IUPAC name is (Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide
PubChem CID178158762
Molecular FormulaC19H26N8
Molecular Weight366.47 g/mol
Exact Mass366.23
IUPAC Name(Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide
SMILES[H]/N=C(\N=C(/C)N)C(/C)=C\C(=N\[H])c1cc(C2CC2c2cnn(C)c2)nn1CC
InChIInChI=1S/C19H26N8/c1-5-27-18(16(21)6-11(2)19(22)24-12(3)20)8-17(25-27)15-7-14(15)13-9-23-26(4)10-13/h6,8-10,14-15,21H,5,7H2,1-4H3,(H3,20,22,24)/b11-6-,21-16-
InChIKeyJQBGLPZQQOFUNH-AZWCISCYSA-N
XLogP2.58
TPSA121.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-ethanimidoyl-6-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]pyridazin-3-imine
CID 178159075
6-[1-ethyl-3-[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 178158842
2-ethanimidoyl-6-[3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]-1-methylpyrazol-5-yl]-4-methylpyridazin-3-imine
CID 178159092
6-[1-ethyl-3-[2-(1-ethylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-3,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 178159098
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004048
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 95004042
N-methyl-3-(1-methylpyrazol-4-yl)cyclopentan-1-amine
CID 64505429
CID 178159103
CID 178159103
(Z)-5-methyl-6-(1-methylpyrazol-4-yl)hex-4-en-3-imine
CID 171524708
7-methyl-2-[1-methyl-3-[(1R)-2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 178158314
(3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120933202
[(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 86767710

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide?
The IUPAC name of (Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide (CID 178158762) is (Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide.
What is the SMILES notation for (Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide?
The canonical SMILES for (Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide is [H]/N=C(\N=C(/C)N)C(/C)=C\C(=N\[H])c1cc(C2CC2c2cnn(C)c2)nn1CC.
What is the InChIKey of (Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide?
The InChIKey is JQBGLPZQQOFUNH-AZWCISCYSA-N. The full InChI is InChI=1S/C19H26N8/c1-5-27-18(16(21)6-11(2)19(22)24-12(3)20)8-17(25-27)15-7-14(15)13-9-23-26(4)10-13/h6,8-10,14-15,21H,5,7H2,1-4H3,(H3,20,22,24)/b11-6-,21-16-.
What are the key properties of (Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide?
(Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide has a molecular weight of 366.47 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-aminoethylidene)-4-[1-ethyl-3-[2-(1-methylpyrazol-4-yl)cyclopropyl]pyrazol-5-yl]-4-imino-2-methylbut-2-enimidamide is sourced from PubChem (CID 178158762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).