(Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide

C15H21ClN4 — CID 123365736

IUPAC(Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide
SMILESC/C=C\C(=N/c1cc(C2CC2)[nH]n1)NC(Cl)=C(C)CC
InChIInChI=1S/C15H21ClN4/c1-4-6-13(18-15(16)10(3)5-2)17-14-9-12(19-20-14)11-7-8-11/h4,6,9,11H,5,7-8H2,1-3H3,(H2,17,18,19,20)/b6-4-,15-10?
InChIKeyIXOFAUOTBGRLAU-KWBCJLRZSA-N
MW292.81 g/mol
LogP4.36
Rot. Bonds5

About (Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide

(Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide (PubChem CID 123365736) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is (Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide
PubChem CID123365736
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC Name(Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide
SMILESC/C=C\C(=N/c1cc(C2CC2)[nH]n1)NC(Cl)=C(C)CC
InChIInChI=1S/C15H21ClN4/c1-4-6-13(18-15(16)10(3)5-2)17-14-9-12(19-20-14)11-7-8-11/h4,6,9,11H,5,7-8H2,1-3H3,(H2,17,18,19,20)/b6-4-,15-10?
InChIKeyIXOFAUOTBGRLAU-KWBCJLRZSA-N
XLogP4.36
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide?
The IUPAC name of (Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide (CID 123365736) is (Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide.
What is the SMILES notation for (Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide?
The canonical SMILES for (Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide is C/C=C\C(=N/c1cc(C2CC2)[nH]n1)NC(Cl)=C(C)CC.
What is the InChIKey of (Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide?
The InChIKey is IXOFAUOTBGRLAU-KWBCJLRZSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-4-6-13(18-15(16)10(3)5-2)17-14-9-12(19-20-14)11-7-8-11/h4,6,9,11H,5,7-8H2,1-3H3,(H2,17,18,19,20)/b6-4-,15-10?.
What are the key properties of (Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide?
(Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide has a molecular weight of 292.81 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-chloro-2-methylbut-1-enyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)but-2-enimidamide is sourced from PubChem (CID 123365736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).