N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide

C21H17F2N5O2 — CID 138043823

IUPACN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cnn(CCO)c1-c1ccccc1
InChIInChI=1S/C21H17F2N5O2/c22-15-8-14(9-16(23)10-15)18-11-19(27-26-18)25-21(30)17-12-24-28(6-7-29)20(17)13-4-2-1-3-5-13/h1-5,8-12,29H,6-7H2,(H2,25,26,27,30)
InChIKeySRFYIZZEMQNSCM-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.46
Rot. Bonds6

About N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide

N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide (PubChem CID 138043823) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide
PubChem CID138043823
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC NameN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide
SMILESO=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cnn(CCO)c1-c1ccccc1
InChIInChI=1S/C21H17F2N5O2/c22-15-8-14(9-16(23)10-15)18-11-19(27-26-18)25-21(30)17-12-24-28(6-7-29)20(17)13-4-2-1-3-5-13/h1-5,8-12,29H,6-7H2,(H2,25,26,27,30)
InChIKeySRFYIZZEMQNSCM-UHFFFAOYSA-N
XLogP3.46
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide (CID 138043823) is N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide is O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cnn(CCO)c1-c1ccccc1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide?
The InChIKey is SRFYIZZEMQNSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c22-15-8-14(9-16(23)10-15)18-11-19(27-26-18)25-21(30)17-12-24-28(6-7-29)20(17)13-4-2-1-3-5-13/h1-5,8-12,29H,6-7H2,(H2,25,26,27,30).
What are the key properties of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide?
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide has a molecular weight of 409.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(2-hydroxyethyl)-5-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 138043823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).