2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide

C19H19F4N5O2 — CID 19532244

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
SMILESCOc1cccc(Cn2cc(NC(=O)C(C)n3nc(C(F)F)cc3C(F)F)cn2)c1
InChIInChI=1S/C19H19F4N5O2/c1-11(28-16(18(22)23)7-15(26-28)17(20)21)19(29)25-13-8-24-27(10-13)9-12-4-3-5-14(6-12)30-2/h3-8,10-11,17-18H,9H2,1-2H3,(H,25,29)
InChIKeyRSZVTPHPLCLTHO-UHFFFAOYSA-N
MW425.39 g/mol
LogP4.21
Rot. Bonds8

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 19532244) has the molecular formula C19H19F4N5O2 and a molecular weight of 425.39 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
PubChem CID19532244
Molecular FormulaC19H19F4N5O2
Molecular Weight425.39 g/mol
Exact Mass425.15
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
SMILESCOc1cccc(Cn2cc(NC(=O)C(C)n3nc(C(F)F)cc3C(F)F)cn2)c1
InChIInChI=1S/C19H19F4N5O2/c1-11(28-16(18(22)23)7-15(26-28)17(20)21)19(29)25-13-8-24-27(10-13)9-12-4-3-5-14(6-12)30-2/h3-8,10-11,17-18H,9H2,1-2H3,(H,25,29)
InChIKeyRSZVTPHPLCLTHO-UHFFFAOYSA-N
XLogP4.21
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19532389
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19532191
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19532125
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19535067
2-(3-methoxy-4-nitropyrazol-1-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19528274
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19532846
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-3-(4-nitropyrazol-1-yl)propanamide
CID 19562537
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]propanamide
CID 19535319
2-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]acetamide
CID 35521443
N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410275
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19532306
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 17284912

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide (CID 19532244) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide is COc1cccc(Cn2cc(NC(=O)C(C)n3nc(C(F)F)cc3C(F)F)cn2)c1.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide?
The InChIKey is RSZVTPHPLCLTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N5O2/c1-11(28-16(18(22)23)7-15(26-28)17(20)21)19(29)25-13-8-24-27(10-13)9-12-4-3-5-14(6-12)30-2/h3-8,10-11,17-18H,9H2,1-2H3,(H,25,29).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 425.39 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19532244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).