(Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine

C10H16ClN3 — CID 106438289

IUPAC(Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine
SMILESC/C(=C/Cl)CNCCn1cc(C)cn1
InChIInChI=1S/C10H16ClN3/c1-9(5-11)6-12-3-4-14-8-10(2)7-13-14/h5,7-8,12H,3-4,6H2,1-2H3/b9-5-
InChIKeyIWZQLJKNIQDIIN-UITAMQMPSA-N
MW213.71 g/mol
LogP1.92
Rot. Bonds5

About (Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine

(Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine (PubChem CID 106438289) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is (Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine
PubChem CID106438289
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name(Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine
SMILESC/C(=C/Cl)CNCCn1cc(C)cn1
InChIInChI=1S/C10H16ClN3/c1-9(5-11)6-12-3-4-14-8-10(2)7-13-14/h5,7-8,12H,3-4,6H2,1-2H3/b9-5-
InChIKeyIWZQLJKNIQDIIN-UITAMQMPSA-N
XLogP1.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[2-(4-methylpyrazol-1-yl)ethylamino]hexan-1-ol
CID 103737929
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62565066
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649741
N-[(4-chlorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649533
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]propan-1-amine
CID 62565456
N',N'-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]propane-1,3-diamine
CID 62565065
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol
CID 113384054
2-(4-methylpyrazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 114094649
2-methyl-N-propyl-3-(1-propylpyrazol-4-yl)prop-2-en-1-amine
CID 103573610
N-(2-butoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62566750

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine?
The IUPAC name of (Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine (CID 106438289) is (Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine.
What is the SMILES notation for (Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine?
The canonical SMILES for (Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine is C/C(=C/Cl)CNCCn1cc(C)cn1.
What is the InChIKey of (Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine?
The InChIKey is IWZQLJKNIQDIIN-UITAMQMPSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-9(5-11)6-12-3-4-14-8-10(2)7-13-14/h5,7-8,12H,3-4,6H2,1-2H3/b9-5-.
What are the key properties of (Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine?
(Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine has a molecular weight of 213.71 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-2-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 106438289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).