1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide

C16H16FN5O — CID 19285858

IUPAC1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccn(Cc3ccccc3F)n2)cn1
InChIInChI=1S/C16H16FN5O/c1-2-21-11-13(9-18-21)16(23)19-15-7-8-22(20-15)10-12-5-3-4-6-14(12)17/h3-9,11H,2,10H2,1H3,(H,19,20,23)
InChIKeyLAYREWRGRCHAEK-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.54
Rot. Bonds5

About 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide

1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide (PubChem CID 19285858) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
PubChem CID19285858
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccn(Cc3ccccc3F)n2)cn1
InChIInChI=1S/C16H16FN5O/c1-2-21-11-13(9-18-21)16(23)19-15-7-8-22(20-15)10-12-5-3-4-6-14(12)17/h3-9,11H,2,10H2,1H3,(H,19,20,23)
InChIKeyLAYREWRGRCHAEK-UHFFFAOYSA-N
XLogP2.54
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide (CID 19285858) is 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccn(Cc3ccccc3F)n2)cn1.
What is the InChIKey of 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide?
The InChIKey is LAYREWRGRCHAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-2-21-11-13(9-18-21)16(23)19-15-7-8-22(20-15)10-12-5-3-4-6-14(12)17/h3-9,11H,2,10H2,1H3,(H,19,20,23).
What are the key properties of 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide?
1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 313.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 19285858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).