[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine

C13H15ClN4O — CID 105262979

IUPAC[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
SMILESCn1ncc(Cl)c1C(NN)C1Cc2ccccc2O1
InChIInChI=1S/C13H15ClN4O/c1-18-13(9(14)7-16-18)12(17-15)11-6-8-4-2-3-5-10(8)19-11/h2-5,7,11-12,17H,6,15H2,1H3
InChIKeyKMHMBNBLYUZWJK-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.58
Rot. Bonds3

About [(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine

[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105262979) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is [(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105262979
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
SMILESCn1ncc(Cl)c1C(NN)C1Cc2ccccc2O1
InChIInChI=1S/C13H15ClN4O/c1-18-13(9(14)7-16-18)12(17-15)11-6-8-4-2-3-5-10(8)19-11/h2-5,7,11-12,17H,6,15H2,1H3
InChIKeyKMHMBNBLYUZWJK-UHFFFAOYSA-N
XLogP1.58
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.58
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

N-[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
CID 114660019
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4-dihydro-2H-chromen-3-yl)methyl]ethanamine
CID 114655781
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 114660003
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485900
(4-chloro-1-ethylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanol
CID 114645296
1-(4-chloro-1-methylpyrazol-5-yl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 114655760
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103025971
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43625337
[(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262887
[2,3-dihydro-1H-inden-2-yl-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105234228
[(5-chlorofuran-2-yl)-(4-chloro-1-methylpyrazol-5-yl)methyl]hydrazine
CID 106694761
[1-benzofuran-2-yl(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
CID 105263056

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine (CID 105262979) is [(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine is Cn1ncc(Cl)c1C(NN)C1Cc2ccccc2O1.
What is the InChIKey of [(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is KMHMBNBLYUZWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-18-13(9(14)7-16-18)12(17-15)11-6-8-4-2-3-5-10(8)19-11/h2-5,7,11-12,17H,6,15H2,1H3.
What are the key properties of [(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine?
[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 278.74 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105262979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).