N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

C19H13F4N5O — CID 162444749

IUPACN-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2c(F)cncc12)c1cnn(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H13F4N5O/c20-15-7-24-6-14-16(8-25-17(14)15)27-18(29)12-5-26-28(10-12)9-11-1-3-13(4-2-11)19(21,22)23/h1-8,10,25H,9H2,(H,27,29)
InChIKeyJCHJRQHIFWCUNF-UHFFFAOYSA-N
MW403.34 g/mol
LogP4.22
Rot. Bonds4

About N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 162444749) has the molecular formula C19H13F4N5O and a molecular weight of 403.34 g/mol. Its IUPAC name is N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID162444749
Molecular FormulaC19H13F4N5O
Molecular Weight403.34 g/mol
Exact Mass403.11
IUPAC NameN-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2c(F)cncc12)c1cnn(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H13F4N5O/c20-15-7-24-6-14-16(8-25-17(14)15)27-18(29)12-5-26-28(10-12)9-11-1-3-13(4-2-11)19(21,22)23/h1-8,10,25H,9H2,(H,27,29)
InChIKeyJCHJRQHIFWCUNF-UHFFFAOYSA-N
XLogP4.22
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-fluoro-5-(1-propan-2-ylpyrazol-4-yl)-1H-indol-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 162444793
1-benzyl-N-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 71678285
N-(5,6-difluoro-1H-indol-3-yl)-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 162444806
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxylate;1H-pyrazole-4-carboxylic acid
CID 175889479
1-benzyl-N-[5-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 71679960
N-(5,6-difluoro-1H-indol-3-yl)-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide
CID 162444742
(2,5-dioxopyrrolidin-1-yl) 1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxylate
CID 170758594
1-benzyl-N-(4-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazole-4-carboxamide
CID 71678969
1-benzyl-N-[5-[4-[2-(dimethylamino)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide
CID 156576917
4-chloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346964
4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide
CID 35323397
1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 145294520

Frequently Asked Questions

What is the IUPAC name of N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 162444749) is N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is O=C(Nc1c[nH]c2c(F)cncc12)c1cnn(Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is JCHJRQHIFWCUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N5O/c20-15-7-24-6-14-16(8-25-17(14)15)27-18(29)12-5-26-28(10-12)9-11-1-3-13(4-2-11)19(21,22)23/h1-8,10,25H,9H2,(H,27,29).
What are the key properties of N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 403.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 162444749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).