3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide

C20H17N5O — CID 177047187

IUPAC3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide
SMILESCCc1cccc(-c2cc(C(=O)Nc3ccc4cccnc4n3)[nH]n2)c1
InChIInChI=1S/C20H17N5O/c1-2-13-5-3-6-15(11-13)16-12-17(25-24-16)20(26)23-18-9-8-14-7-4-10-21-19(14)22-18/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23,26)
InChIKeyPHXDRJHIYPCNHA-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.83
Rot. Bonds4

About 3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide

3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 177047187) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID177047187
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide
SMILESCCc1cccc(-c2cc(C(=O)Nc3ccc4cccnc4n3)[nH]n2)c1
InChIInChI=1S/C20H17N5O/c1-2-13-5-3-6-15(11-13)16-12-17(25-24-16)20(26)23-18-9-8-14-7-4-10-21-19(14)22-18/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23,26)
InChIKeyPHXDRJHIYPCNHA-UHFFFAOYSA-N
XLogP3.83
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide (CID 177047187) is 3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide is CCc1cccc(-c2cc(C(=O)Nc3ccc4cccnc4n3)[nH]n2)c1.
What is the InChIKey of 3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is PHXDRJHIYPCNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-2-13-5-3-6-15(11-13)16-12-17(25-24-16)20(26)23-18-9-8-14-7-4-10-21-19(14)22-18/h3-12H,2H2,1H3,(H,24,25)(H,21,22,23,26).
What are the key properties of 3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide?
3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-N-(1,8-naphthyridin-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 177047187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).