[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine

C13H23ClN4 — CID 105336781

IUPAC[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)C1(C)CCCC1
InChIInChI=1S/C13H23ClN4/c1-9(2)18-11(10(14)8-16-18)12(17-15)13(3)6-4-5-7-13/h8-9,12,17H,4-7,15H2,1-3H3
InChIKeyCWPOJPSXBDZOGF-UHFFFAOYSA-N
MW270.81 g/mol
LogP3.20
Rot. Bonds4

About [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine

[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine (PubChem CID 105336781) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine
PubChem CID105336781
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC Name[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine
SMILESCC(C)n1ncc(Cl)c1C(NN)C1(C)CCCC1
InChIInChI=1S/C13H23ClN4/c1-9(2)18-11(10(14)8-16-18)12(17-15)13(3)6-4-5-7-13/h8-9,12,17H,4-7,15H2,1-3H3
InChIKeyCWPOJPSXBDZOGF-UHFFFAOYSA-N
XLogP3.20
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830598
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243362
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250965
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275862
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105046816
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105048369
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958
1-(4-chloro-1-ethylpyrazol-5-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105040912
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452008
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830652
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2,2-dimethoxyethyl]hydrazine
CID 105246185
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105042004

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine (CID 105336781) is [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine is CC(C)n1ncc(Cl)c1C(NN)C1(C)CCCC1.
What is the InChIKey of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine?
The InChIKey is CWPOJPSXBDZOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-9(2)18-11(10(14)8-16-18)12(17-15)13(3)6-4-5-7-13/h8-9,12,17H,4-7,15H2,1-3H3.
What are the key properties of [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine?
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine has a molecular weight of 270.81 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine is sourced from PubChem (CID 105336781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).