5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide

C18H17F2N5O2 — CID 71765270

IUPAC5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1NCc1c(F)cccc1F
InChIInChI=1S/C18H17F2N5O2/c19-13-2-1-3-14(20)12(13)9-23-18-15(16(21)27)17(24-25-18)22-8-10-4-6-11(26)7-5-10/h1-7,26H,8-9H2,(H2,21,27)(H3,22,23,24,25)
InChIKeyMCSRPOCEMZHTDA-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.72
Rot. Bonds7

About 5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide

5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 71765270) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is 5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
PubChem CID71765270
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC Name5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1NCc1c(F)cccc1F
InChIInChI=1S/C18H17F2N5O2/c19-13-2-1-3-14(20)12(13)9-23-18-15(16(21)27)17(24-25-18)22-8-10-4-6-11(26)7-5-10/h1-7,26H,8-9H2,(H2,21,27)(H3,22,23,24,25)
InChIKeyMCSRPOCEMZHTDA-UHFFFAOYSA-N
XLogP2.72
TPSA116.06 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide (CID 71765270) is 5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1NCc1c(F)cccc1F.
What is the InChIKey of 5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The InChIKey is MCSRPOCEMZHTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c19-13-2-1-3-14(20)12(13)9-23-18-15(16(21)27)17(24-25-18)22-8-10-4-6-11(26)7-5-10/h1-7,26H,8-9H2,(H2,21,27)(H3,22,23,24,25).
What are the key properties of 5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide?
5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluorophenyl)methylamino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71765270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).