1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine

C15H28ClN5 — CID 105243362

IUPAC1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCC(C)n1ncc(Cl)c1C(NN)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H28ClN5/c1-11(2)21-13(12(16)10-18-21)14(19-17)15(20(3)4)8-6-5-7-9-15/h10-11,14,19H,5-9,17H2,1-4H3
InChIKeyRPVBRSWLIKHMSZ-UHFFFAOYSA-N
MW313.88 g/mol
LogP2.89
Rot. Bonds5

About 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine

1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 105243362) has the molecular formula C15H28ClN5 and a molecular weight of 313.88 g/mol. Its IUPAC name is 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID105243362
Molecular FormulaC15H28ClN5
Molecular Weight313.88 g/mol
Exact Mass313.20
IUPAC Name1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
SMILESCC(C)n1ncc(Cl)c1C(NN)C1(N(C)C)CCCCC1
InChIInChI=1S/C15H28ClN5/c1-11(2)21-13(12(16)10-18-21)14(19-17)15(20(3)4)8-6-5-7-9-15/h10-11,14,19H,5-9,17H2,1-4H3
InChIKeyRPVBRSWLIKHMSZ-UHFFFAOYSA-N
XLogP2.89
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methyl]hydrazine
CID 105336781
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250965
1-[(4-chloro-1-propylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243209
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275862
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(1-methylcyclohexyl)methanamine
CID 106830598
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 114657058
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 114657117
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]cycloheptan-1-ol
CID 103452008
1-[(3,4-dichlorophenyl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243847
1-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-hydrazinylmethyl]-N,N-dimethylcyclopentan-1-amine
CID 105242499
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanol
CID 114644578

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine (CID 105243362) is 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine is CC(C)n1ncc(Cl)c1C(NN)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is RPVBRSWLIKHMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN5/c1-11(2)21-13(12(16)10-18-21)14(19-17)15(20(3)4)8-6-5-7-9-15/h10-11,14,19H,5-9,17H2,1-4H3.
What are the key properties of 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine?
1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 313.88 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 105243362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).