1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

C15H18ClN3 — CID 107384481

IUPAC1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESNC1CCCCc2c1cnn2Cc1ccccc1Cl
InChIInChI=1S/C15H18ClN3/c16-13-6-2-1-5-11(13)10-19-15-8-4-3-7-14(17)12(15)9-18-19/h1-2,5-6,9,14H,3-4,7-8,10,17H2
InChIKeyKSCKFTMJDSPOGS-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.31
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (PubChem CID 107384481) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
PubChem CID107384481
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESNC1CCCCc2c1cnn2Cc1ccccc1Cl
InChIInChI=1S/C15H18ClN3/c16-13-6-2-1-5-11(13)10-19-15-8-4-3-7-14(17)12(15)9-18-19/h1-2,5-6,9,14H,3-4,7-8,10,17H2
InChIKeyKSCKFTMJDSPOGS-UHFFFAOYSA-N
XLogP3.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (CID 107384481) is 1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is NC1CCCCc2c1cnn2Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The InChIKey is KSCKFTMJDSPOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c16-13-6-2-1-5-11(13)10-19-15-8-4-3-7-14(17)12(15)9-18-19/h1-2,5-6,9,14H,3-4,7-8,10,17H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine has a molecular weight of 275.78 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is sourced from PubChem (CID 107384481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).