N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide

C15H15N5O — CID 48507926

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
SMILESCCc1cc(NC(=O)c2ccn(-c3ccccc3)n2)n[nH]1
InChIInChI=1S/C15H15N5O/c1-2-11-10-14(18-17-11)16-15(21)13-8-9-20(19-13)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H2,16,17,18,21)
InChIKeySRFWWCQIXKAEEE-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.41
Rot. Bonds4

About N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide

N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide (PubChem CID 48507926) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
PubChem CID48507926
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
SMILESCCc1cc(NC(=O)c2ccn(-c3ccccc3)n2)n[nH]1
InChIInChI=1S/C15H15N5O/c1-2-11-10-14(18-17-11)16-15(21)13-8-9-20(19-13)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H2,16,17,18,21)
InChIKeySRFWWCQIXKAEEE-UHFFFAOYSA-N
XLogP2.41
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide (CID 48507926) is N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide is CCc1cc(NC(=O)c2ccn(-c3ccccc3)n2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is SRFWWCQIXKAEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-11-10-14(18-17-11)16-15(21)13-8-9-20(19-13)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H2,16,17,18,21).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide?
N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 48507926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).