chloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine

C20H38ClN5 — CID 145075855

IUPACchloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine
SMILESCC.CCCn1cc(-c2cccc(NN)c2C)cn1.CCN(C)C.CCl
InChIInChI=1S/C13H18N4.C4H11N.C2H6.CH3Cl/c1-3-7-17-9-11(8-15-17)12-5-4-6-13(16-14)10(12)2;1-4-5(2)3;2*1-2/h4-6,8-9,16H,3,7,14H2,1-2H3;4H2,1-3H3;1-2H3;1H3
InChIKeyIYUKVTODODRGTI-UHFFFAOYSA-N
MW384.01 g/mol
LogP5.00
Rot. Bonds5

About chloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine

chloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine (PubChem CID 145075855) has the molecular formula C20H38ClN5 and a molecular weight of 384.01 g/mol. Its IUPAC name is chloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine.

Molecular Properties

Compound Namechloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine
PubChem CID145075855
Molecular FormulaC20H38ClN5
Molecular Weight384.01 g/mol
Exact Mass383.28
IUPAC Namechloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine
SMILESCC.CCCn1cc(-c2cccc(NN)c2C)cn1.CCN(C)C.CCl
InChIInChI=1S/C13H18N4.C4H11N.C2H6.CH3Cl/c1-3-7-17-9-11(8-15-17)12-5-4-6-13(16-14)10(12)2;1-4-5(2)3;2*1-2/h4-6,8-9,16H,3,7,14H2,1-2H3;4H2,1-3H3;1-2H3;1H3
InChIKeyIYUKVTODODRGTI-UHFFFAOYSA-N
XLogP5.00
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.01
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride
CID 171364566
[3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine
CID 171364561
6-methyl-5-(1-propylpyrazol-4-yl)pyridin-2-amine
CID 79048911
3-(1-butylpyrazol-4-yl)-2-methylbenzoic acid
CID 171362105
N,N-dimethyl-2-(4-phenylpyrazol-1-yl)ethanamine
CID 62769889
2,6-dimethyl-4-(1-propylpyrazol-4-yl)pyridine;ethane
CID 145062525
2-fluoro-6-(1-propylpyrazol-4-yl)benzoic acid
CID 114560299
5-(1-butylpyrazol-4-yl)naphthalen-1-amine
CID 172677743
4-fluoro-3-(1-propylpyrazol-4-yl)aniline
CID 104781165
2-methyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]aniline
CID 62771007
8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 103144129
N-methylsulfanyl-3-(1-propylpyrazol-4-yl)aniline
CID 154687703

Frequently Asked Questions

What is the IUPAC name of chloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine?
The IUPAC name of chloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine (CID 145075855) is chloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine.
What is the SMILES notation for chloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine?
The canonical SMILES for chloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine is CC.CCCn1cc(-c2cccc(NN)c2C)cn1.CCN(C)C.CCl.
What is the InChIKey of chloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine?
The InChIKey is IYUKVTODODRGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4.C4H11N.C2H6.CH3Cl/c1-3-7-17-9-11(8-15-17)12-5-4-6-13(16-14)10(12)2;1-4-5(2)3;2*1-2/h4-6,8-9,16H,3,7,14H2,1-2H3;4H2,1-3H3;1-2H3;1H3.
What are the key properties of chloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine?
chloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine has a molecular weight of 384.01 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine is sourced from PubChem (CID 145075855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).