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

C13H18ClN5O — CID 105252746

IUPAC[(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)c1ccnc(Cl)c1
InChIInChI=1S/C13H18ClN5O/c1-8(2)19-13(10(20-3)7-17-19)12(18-15)9-4-5-16-11(14)6-9/h4-8,12,18H,15H2,1-3H3
InChIKeyHGUKZJNZFLAAKH-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.07
Rot. Bonds5

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

[(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (PubChem CID 105252746) has the molecular formula C13H18ClN5O and a molecular weight of 295.77 g/mol. Its IUPAC name is [(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
PubChem CID105252746
Molecular FormulaC13H18ClN5O
Molecular Weight295.77 g/mol
Exact Mass295.12
IUPAC Name[(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
SMILESCOc1cnn(C(C)C)c1C(NN)c1ccnc(Cl)c1
InChIInChI=1S/C13H18ClN5O/c1-8(2)19-13(10(20-3)7-17-19)12(18-15)9-4-5-16-11(14)6-9/h4-8,12,18H,15H2,1-3H3
InChIKeyHGUKZJNZFLAAKH-UHFFFAOYSA-N
XLogP2.07
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-fluoro-4-methylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105201541
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3-methoxy-4-methylphenyl)methyl]hydrazine
CID 105336741
[(4-bromo-2-chlorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339599
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylphenyl)methyl]hydrazine
CID 105200451
[(2,5-dibromophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339573
[(2,5-difluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105219395
[(3-ethyl-2-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105263810
[(2-bromo-4-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339550
[(6-chloro-3-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105253115
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105336978
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105339621
[(3-bromothiophen-2-yl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105339586

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The IUPAC name of [(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine (CID 105252746) is [(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is COc1cnn(C(C)C)c1C(NN)c1ccnc(Cl)c1.
What is the InChIKey of [(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
The InChIKey is HGUKZJNZFLAAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5O/c1-8(2)19-13(10(20-3)7-17-19)12(18-15)9-4-5-16-11(14)6-9/h4-8,12,18H,15H2,1-3H3.
What are the key properties of [(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine?
[(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine has a molecular weight of 295.77 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-4-pyridinyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine is sourced from PubChem (CID 105252746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).