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

C15H19ClN4O — CID 105337137

IUPAC[(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19ClN4O/c1-2-5-20-15(13(16)7-18-20)14(19-17)10-3-4-11-8-21-9-12(11)6-10/h3-4,6-7,14,19H,2,5,8-9,17H2,1H3
InChIKeyKZVXQJAHJDIHNW-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.53
Rot. Bonds5

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

[(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine (PubChem CID 105337137) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is [(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine
PubChem CID105337137
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name[(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine
SMILESCCCn1ncc(Cl)c1C(NN)c1ccc2c(c1)COC2
InChIInChI=1S/C15H19ClN4O/c1-2-5-20-15(13(16)7-18-20)14(19-17)10-3-4-11-8-21-9-12(11)6-10/h3-4,6-7,14,19H,2,5,8-9,17H2,1H3
InChIKeyKZVXQJAHJDIHNW-UHFFFAOYSA-N
XLogP2.53
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.53
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-propylpyrazol-5-yl)-(4-propan-2-ylphenyl)methyl]hydrazine
CID 105194048
[(3-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105260924
N-[(4-chloro-1-methylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
CID 105046701
[(3-bromo-4-methoxyphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105337224
[(4-chloro-1-propylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208071
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 105042598
[(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
CID 105338870
[(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 106860223
[(3,4-dichlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105257120
[(3-bromo-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105238587
[(4-bromo-1-propylpyrazol-5-yl)-(4-chloro-3-methylphenyl)methyl]hydrazine
CID 105336612
1,3-dihydro-2-benzofuran-5-yl-(2-propylpyrazol-3-yl)methanamine
CID 115857588

Frequently Asked Questions

What is the IUPAC name of [(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine?
The IUPAC name of [(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine (CID 105337137) is [(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine.
What is the SMILES notation for [(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine?
The canonical SMILES for [(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine is CCCn1ncc(Cl)c1C(NN)c1ccc2c(c1)COC2.
What is the InChIKey of [(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine?
The InChIKey is KZVXQJAHJDIHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-2-5-20-15(13(16)7-18-20)14(19-17)10-3-4-11-8-21-9-12(11)6-10/h3-4,6-7,14,19H,2,5,8-9,17H2,1H3.
What are the key properties of [(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine?
[(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine has a molecular weight of 306.80 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chloro-1-propylpyrazol-5-yl)-(1,3-dihydro-2-benzofuran-5-yl)methyl]hydrazine is sourced from PubChem (CID 105337137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).