(NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride

C11H17ClN4 — CID 144581368

IUPAC(NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride
SMILESCC/C(=N\N=C(/C)Cl)c1cnn(C(C)C)c1
InChIInChI=1S/C11H17ClN4/c1-5-11(15-14-9(4)12)10-6-13-16(7-10)8(2)3/h6-8H,5H2,1-4H3/b14-9+,15-11+
InChIKeyJKPOWUSEAQZGJD-YFVJMOTDSA-N
MW240.74 g/mol
LogP3.24
Rot. Bonds4

About (NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride

(NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride (PubChem CID 144581368) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is (NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride.

Molecular Properties

Compound Name(NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride
PubChem CID144581368
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name(NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride
SMILESCC/C(=N\N=C(/C)Cl)c1cnn(C(C)C)c1
InChIInChI=1S/C11H17ClN4/c1-5-11(15-14-9(4)12)10-6-13-16(7-10)8(2)3/h6-8H,5H2,1-4H3/b14-9+,15-11+
InChIKeyJKPOWUSEAQZGJD-YFVJMOTDSA-N
XLogP3.24
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
CID 43199853
2,2-dimethyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine dihydrochloride
CID 54593542
4-(1-methyl-1H-pyrazol-4-yl)butan-2-amine
CID 62127805
1-Methyl-4-octylpyrazole
CID 44222592
1-(1-ethyl-1H-pyrazol-4-yl)propan-1-amine
CID 23005819
1-(2-Fluoroethyl)-4-pentylpyrazole
CID 69998690
1-(2,2-Difluoroethyl)-4-(2-methylpropyl)pyrazole
CID 118301776
4-(3-Methylbutyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 118301778
1-(2,2-Difluoroethyl)-4-(3-methylbutan-2-yl)pyrazole
CID 118301779
4-(2-Methylpropyl)-1-(2,2,2-trifluoroethyl)pyrazole
CID 118301780

Frequently Asked Questions

What is the IUPAC name of (NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride?
The IUPAC name of (NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride (CID 144581368) is (NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride.
What is the SMILES notation for (NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride?
The canonical SMILES for (NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride is CC/C(=N\N=C(/C)Cl)c1cnn(C(C)C)c1.
What is the InChIKey of (NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride?
The InChIKey is JKPOWUSEAQZGJD-YFVJMOTDSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-5-11(15-14-9(4)12)10-6-13-16(7-10)8(2)3/h6-8H,5H2,1-4H3/b14-9+,15-11+.
What are the key properties of (NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride?
(NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride has a molecular weight of 240.74 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE,1E)-N-[1-(1-propan-2-ylpyrazol-4-yl)propylidene]ethanehydrazonoyl chloride is sourced from PubChem (CID 144581368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).