(3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine

C14H22ClN3 — CID 134081388

IUPAC(3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine
SMILESCCc1nn(CC)c(/C=C2\CCCC(N)C2)c1Cl
InChIInChI=1S/C14H22ClN3/c1-3-12-14(15)13(18(4-2)17-12)9-10-6-5-7-11(16)8-10/h9,11H,3-8,16H2,1-2H3/b10-9+
InChIKeySMZBEYUMBLDSEA-MDZDMXLPSA-N
MW267.80 g/mol
LogP3.40
Rot. Bonds3

About (3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine

(3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine (PubChem CID 134081388) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is (3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name(3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine
PubChem CID134081388
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name(3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine
SMILESCCc1nn(CC)c(/C=C2\CCCC(N)C2)c1Cl
InChIInChI=1S/C14H22ClN3/c1-3-12-14(15)13(18(4-2)17-12)9-10-6-5-7-11(16)8-10/h9,11H,3-8,16H2,1-2H3/b10-9+
InChIKeySMZBEYUMBLDSEA-MDZDMXLPSA-N
XLogP3.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]cyclohexan-1-amine
CID 79880458
3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine
CID 79879094
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-cyclopentylpropan-2-yl]hydrazine
CID 105318256
4-N-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79113863
(3E)-3-[(4-bromo-1,3-diethylpyrazol-5-yl)methylidene]piperidine
CID 134081391
4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylidene]piperidine
CID 79880289
5-(3-bromo-2-cyclopentylpropyl)-4-chloro-1,3-diethylpyrazole
CID 112570654
1-(7-bicyclo[4.1.0]heptanyl)-2-(4-chloro-1,3-diethylpyrazol-5-yl)ethanamine
CID 105001490
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198758
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]oxan-4-amine
CID 106468968
1-(4-chloro-1,3-diethylpyrazol-5-yl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105161506
3-(4-chloro-1,3-diethylpyrazol-5-yl)-2-cyclopentyl-N-ethylpropan-1-amine
CID 115926580

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine?
The IUPAC name of (3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine (CID 134081388) is (3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine.
What is the SMILES notation for (3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine?
The canonical SMILES for (3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine is CCc1nn(CC)c(/C=C2\CCCC(N)C2)c1Cl.
What is the InChIKey of (3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine?
The InChIKey is SMZBEYUMBLDSEA-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-3-12-14(15)13(18(4-2)17-12)9-10-6-5-7-11(16)8-10/h9,11H,3-8,16H2,1-2H3/b10-9+.
What are the key properties of (3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine?
(3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine is sourced from PubChem (CID 134081388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).