2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine

C16H13ClF2N4 — CID 88547324

IUPAC2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine
SMILESCc1nn(C)c(Nc2cccnc2Cl)c1-c1ccc(F)cc1F
InChIInChI=1S/C16H13ClF2N4/c1-9-14(11-6-5-10(18)8-12(11)19)16(23(2)22-9)21-13-4-3-7-20-15(13)17/h3-8,21H,1-2H3
InChIKeyDNEULYYIQSNXDJ-UHFFFAOYSA-N
MW334.76 g/mol
LogP4.47
Rot. Bonds3

About 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine

2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine (PubChem CID 88547324) has the molecular formula C16H13ClF2N4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine
PubChem CID88547324
Molecular FormulaC16H13ClF2N4
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC Name2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine
SMILESCc1nn(C)c(Nc2cccnc2Cl)c1-c1ccc(F)cc1F
InChIInChI=1S/C16H13ClF2N4/c1-9-14(11-6-5-10(18)8-12(11)19)16(23(2)22-9)21-13-4-3-7-20-15(13)17/h3-8,21H,1-2H3
InChIKeyDNEULYYIQSNXDJ-UHFFFAOYSA-N
XLogP4.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine?
The IUPAC name of 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine (CID 88547324) is 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine?
The canonical SMILES for 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine is Cc1nn(C)c(Nc2cccnc2Cl)c1-c1ccc(F)cc1F.
What is the InChIKey of 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine?
The InChIKey is DNEULYYIQSNXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N4/c1-9-14(11-6-5-10(18)8-12(11)19)16(23(2)22-9)21-13-4-3-7-20-15(13)17/h3-8,21H,1-2H3.
What are the key properties of 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine?
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine has a molecular weight of 334.76 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(2,4-difluorophenyl)-1,3-dimethylpyrazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 88547324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).