N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide

C20H16F2N4O2 — CID 166327720

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C20H16F2N4O2/c21-20(22)28-13-7-5-12(6-8-13)10-24-19(27)18-9-17(25-26-18)15-11-23-16-4-2-1-3-14(15)16/h1-9,11,20,23H,10H2,(H,24,27)(H,25,26)
InChIKeyAVMUKMPSZRVMJE-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.09
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 166327720) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID166327720
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(OC(F)F)cc1)c1cc(-c2c[nH]c3ccccc23)n[nH]1
InChIInChI=1S/C20H16F2N4O2/c21-20(22)28-13-7-5-12(6-8-13)10-24-19(27)18-9-17(25-26-18)15-11-23-16-4-2-1-3-14(15)16/h1-9,11,20,23H,10H2,(H,24,27)(H,25,26)
InChIKeyAVMUKMPSZRVMJE-UHFFFAOYSA-N
XLogP4.09
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 155954366
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 42006153
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-(1H-indol-3-yl)acetamide
CID 17412889
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(1H-indol-3-yl)butanamide
CID 46671165
2-N,6-N-bis[[4-(difluoromethoxy)phenyl]methyl]pyridine-2,6-dicarboxamide
CID 39047207
N-[(1R,2R)-2-hydroxycyclobutyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide
CID 136585265
3-[4-(difluoromethoxy)phenyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19514180
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 40705938
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzamide
CID 42006664
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
CID 51181469
N-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 47109455
N-[[4-(difluoromethoxy)phenyl]methyl]quinoxaline-2-carboxamide
CID 134021244

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide (CID 166327720) is N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide is O=C(NCc1ccc(OC(F)F)cc1)c1cc(-c2c[nH]c3ccccc23)n[nH]1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is AVMUKMPSZRVMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c21-20(22)28-13-7-5-12(6-8-13)10-24-19(27)18-9-17(25-26-18)15-11-23-16-4-2-1-3-14(15)16/h1-9,11,20,23H,10H2,(H,24,27)(H,25,26).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-3-(1H-indol-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166327720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).