N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine

C18H21F2N5 — CID 25282068

IUPACN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
SMILESCc1n[nH]c(C)c1CCN(C)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C18H21F2N5/c1-11-15(12(2)23-22-11)6-7-25(3)10-13-9-21-24-18(13)16-5-4-14(19)8-17(16)20/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRXKDNTCIRPJYSF-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.37
Rot. Bonds6

About N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine (PubChem CID 25282068) has the molecular formula C18H21F2N5 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
PubChem CID25282068
Molecular FormulaC18H21F2N5
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
SMILESCc1n[nH]c(C)c1CCN(C)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C18H21F2N5/c1-11-15(12(2)23-22-11)6-7-25(3)10-13-9-21-24-18(13)16-5-4-14(19)8-17(16)20/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyRXKDNTCIRPJYSF-UHFFFAOYSA-N
XLogP3.37
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine?
The IUPAC name of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine (CID 25282068) is N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine is Cc1n[nH]c(C)c1CCN(C)Cc1cn[nH]c1-c1ccc(F)cc1F.
What is the InChIKey of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine?
The InChIKey is RXKDNTCIRPJYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5/c1-11-15(12(2)23-22-11)6-7-25(3)10-13-9-21-24-18(13)16-5-4-14(19)8-17(16)20/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine?
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine has a molecular weight of 345.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 25282068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).