N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide

C20H21F2N5O2 — CID 126740614

IUPACN-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
SMILESCN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(OC(F)F)cc3)n2)cn1
InChIInChI=1S/C20H21F2N5O2/c1-26(2)18-8-5-15(12-23-18)11-19(28)24-17-9-10-27(25-17)13-14-3-6-16(7-4-14)29-20(21)22/h3-10,12,20H,11,13H2,1-2H3,(H,24,25,28)
InChIKeyCBNVJWIJCFRZMT-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.17
Rot. Bonds8

About N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide

N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide (PubChem CID 126740614) has the molecular formula C20H21F2N5O2 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
PubChem CID126740614
Molecular FormulaC20H21F2N5O2
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC NameN-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide
SMILESCN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(OC(F)F)cc3)n2)cn1
InChIInChI=1S/C20H21F2N5O2/c1-26(2)18-8-5-15(12-23-18)11-19(28)24-17-9-10-27(25-17)13-14-3-6-16(7-4-14)29-20(21)22/h3-10,12,20H,11,13H2,1-2H3,(H,24,25,28)
InChIKeyCBNVJWIJCFRZMT-UHFFFAOYSA-N
XLogP3.17
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(dimethylamino)phenyl]-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]acetamide
CID 118560399
2-[6-[cyclopropylmethyl(methyl)amino]-3-pyridinyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 126740678
N-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560794
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
CID 19283733
N-(5-chloro-2-pyridinyl)-2-[4-(difluoromethoxy)phenyl]acetamide
CID 34136582
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19283650
N-[1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560586
2-(4-tert-butylphenyl)-N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]acetamide
CID 118962107
2-(4-propan-2-ylphenyl)-N-[1-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazol-3-yl]acetamide
CID 126740640
2-(4-bromophenoxy)-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 2970557
N-[1-[(3,5-difluoro-4-methoxyphenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560290
N-[2-[[4-(difluoromethoxy)phenyl]methyl]triazol-4-yl]-2-(1-methylindol-5-yl)acetamide
CID 118962161

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide?
The IUPAC name of N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide (CID 126740614) is N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide?
The canonical SMILES for N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide is CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(OC(F)F)cc3)n2)cn1.
What is the InChIKey of N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide?
The InChIKey is CBNVJWIJCFRZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O2/c1-26(2)18-8-5-15(12-23-18)11-19(28)24-17-9-10-27(25-17)13-14-3-6-16(7-4-14)29-20(21)22/h3-10,12,20H,11,13H2,1-2H3,(H,24,25,28).
What are the key properties of N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide?
N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide has a molecular weight of 401.42 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(difluoromethoxy)phenyl]methyl]pyrazol-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 126740614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).