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

C13H14ClN3O — CID 66361747

IUPAC4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine
SMILESCc1ccc2c(c1)CC(Cn1cc(Cl)c(N)n1)O2
InChIInChI=1S/C13H14ClN3O/c1-8-2-3-12-9(4-8)5-10(18-12)6-17-7-11(14)13(15)16-17/h2-4,7,10H,5-6H2,1H3,(H2,15,16)
InChIKeyOHNCGBFSRYYDEQ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.43
Rot. Bonds2

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

4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine (PubChem CID 66361747) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine
PubChem CID66361747
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine
SMILESCc1ccc2c(c1)CC(Cn1cc(Cl)c(N)n1)O2
InChIInChI=1S/C13H14ClN3O/c1-8-2-3-12-9(4-8)5-10(18-12)6-17-7-11(14)13(15)16-17/h2-4,7,10H,5-6H2,1H3,(H2,15,16)
InChIKeyOHNCGBFSRYYDEQ-UHFFFAOYSA-N
XLogP2.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-4-amine
CID 66360979
2-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]triazol-4-yl]ethanamine
CID 116641797
4-bromo-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-nitropyrazole
CID 66361233
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]triazole-4-carbaldehyde
CID 66394111
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66360837
4,5-dichloro-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyridazin-3-one
CID 114386479
4-[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]triazol-4-yl]butan-1-amine
CID 104539389
4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
CID 66362667
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
3-chloro-4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]aniline
CID 66360029
N-[[1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]triazol-4-yl]methyl]cyclopropanamine
CID 66391982
methyl 4-amino-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrole-2-carboxylate
CID 66361366

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine?
The IUPAC name of 4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine (CID 66361747) is 4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine is Cc1ccc2c(c1)CC(Cn1cc(Cl)c(N)n1)O2.
What is the InChIKey of 4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine?
The InChIKey is OHNCGBFSRYYDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-8-2-3-12-9(4-8)5-10(18-12)6-17-7-11(14)13(15)16-17/h2-4,7,10H,5-6H2,1H3,(H2,15,16).
What are the key properties of 4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine?
4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine has a molecular weight of 263.73 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 66361747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).