1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine

C16H19F2N3O — CID 77090424

IUPAC1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine
SMILESCOc1ccc(F)c(F)c1CN(C)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C16H19F2N3O/c1-21(8-11-7-14(20-19-11)10-3-4-10)9-12-15(22-2)6-5-13(17)16(12)18/h5-7,10H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyMQGDGDCZFKJQKG-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.21
Rot. Bonds6

About 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine

1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine (PubChem CID 77090424) has the molecular formula C16H19F2N3O and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine
PubChem CID77090424
Molecular FormulaC16H19F2N3O
Molecular Weight307.34 g/mol
Exact Mass307.15
IUPAC Name1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine
SMILESCOc1ccc(F)c(F)c1CN(C)Cc1cc(C2CC2)n[nH]1
InChIInChI=1S/C16H19F2N3O/c1-21(8-11-7-14(20-19-11)10-3-4-10)9-12-15(22-2)6-5-13(17)16(12)18/h5-7,10H,3-4,8-9H2,1-2H3,(H,19,20)
InChIKeyMQGDGDCZFKJQKG-UHFFFAOYSA-N
XLogP3.21
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine (CID 77090424) is 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine is COc1ccc(F)c(F)c1CN(C)Cc1cc(C2CC2)n[nH]1.
What is the InChIKey of 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine?
The InChIKey is MQGDGDCZFKJQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O/c1-21(8-11-7-14(20-19-11)10-3-4-10)9-12-15(22-2)6-5-13(17)16(12)18/h5-7,10H,3-4,8-9H2,1-2H3,(H,19,20).
What are the key properties of 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine?
1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine has a molecular weight of 307.34 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1H-pyrazol-5-yl)-N-[(2,3-difluoro-6-methoxyphenyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 77090424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).