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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 132388543
CID 132388543
CID 71765306
CID 71765306
CID 89815915
CID 89815915
CID 89815935
CID 89815935
CID 89815938
CID 89815938
CID 89820476
CID 89820476
CID 89820491
CID 89820491
CID 89820513
CID 89820513
CID 89820518
CID 89820518
CID 89820522
CID 89820522
CID 89903478
CID 89903478
CID 89903479
CID 89903479

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).