1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine

C15H29N5 — CID 105243858

IUPAC1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCCn1nccc1C(NN)C1(N(C)C)CCCCCC1
InChIInChI=1S/C15H29N5/c1-4-20-13(9-12-17-20)14(18-16)15(19(2)3)10-7-5-6-8-11-15/h9,12,14,18H,4-8,10-11,16H2,1-3H3
InChIKeyIPHUVVCEYXYVSW-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.06
Rot. Bonds5

About 1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine

1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 105243858) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID105243858
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCCn1nccc1C(NN)C1(N(C)C)CCCCCC1
InChIInChI=1S/C15H29N5/c1-4-20-13(9-12-17-20)14(18-16)15(19(2)3)10-7-5-6-8-11-15/h9,12,14,18H,4-8,10-11,16H2,1-3H3
InChIKeyIPHUVVCEYXYVSW-UHFFFAOYSA-N
XLogP2.06
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.06
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

[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831218
[(2-ethylpyrazol-3-yl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253445
[(2-ethylpyrazol-3-yl)-(1-phenylcyclopentyl)methyl]hydrazine
CID 105217491
N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830099
N,N-diethyl-1-[hydrazinyl-(2-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 105242582
1-[ethylamino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79063591
N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine
CID 116770400
1-[amino-(2-ethylpyrazol-3-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 79074466
(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
CID 106830881
[(1-methylcyclopropyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105253298
1-[(4-chloro-1-propylpyrazol-5-yl)-hydrazinylmethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243209
N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80684949

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine (CID 105243858) is 1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine is CCn1nccc1C(NN)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is IPHUVVCEYXYVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-4-20-13(9-12-17-20)14(18-16)15(19(2)3)10-7-5-6-8-11-15/h9,12,14,18H,4-8,10-11,16H2,1-3H3.
What are the key properties of 1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine?
1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 105243858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).