5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine

C14H15Cl2N3 — CID 103163941

IUPAC5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CC2CCC2)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H15Cl2N3/c15-9-5-2-6-10(16)12(9)13-11(18-19-14(13)17)7-8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H3,17,18,19)
InChIKeyGIZGPEDILQDKBV-UHFFFAOYSA-N
MW296.20 g/mol
LogP4.31
Rot. Bonds3

About 5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine

5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine (PubChem CID 103163941) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
PubChem CID103163941
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC Name5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CC2CCC2)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C14H15Cl2N3/c15-9-5-2-6-10(16)12(9)13-11(18-19-14(13)17)7-8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H3,17,18,19)
InChIKeyGIZGPEDILQDKBV-UHFFFAOYSA-N
XLogP4.31
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine (CID 103163941) is 5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(CC2CCC2)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine?
The InChIKey is GIZGPEDILQDKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c15-9-5-2-6-10(16)12(9)13-11(18-19-14(13)17)7-8-3-1-4-8/h2,5-6,8H,1,3-4,7H2,(H3,17,18,19).
What are the key properties of 5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine?
5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine has a molecular weight of 296.20 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-4-(2,6-dichlorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 103163941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).