5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide

C12H15N5O — CID 86701910

IUPAC5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide
SMILESCCc1cccc(Nc2n[nH]c(N)c2C(N)=O)c1
InChIInChI=1S/C12H15N5O/c1-2-7-4-3-5-8(6-7)15-12-9(11(14)18)10(13)16-17-12/h3-6H,2H2,1H3,(H2,14,18)(H4,13,15,16,17)
InChIKeyPYZNIXGYDDRZLC-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.40
Rot. Bonds4

About 5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide

5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide (PubChem CID 86701910) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide
PubChem CID86701910
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide
SMILESCCc1cccc(Nc2n[nH]c(N)c2C(N)=O)c1
InChIInChI=1S/C12H15N5O/c1-2-7-4-3-5-8(6-7)15-12-9(11(14)18)10(13)16-17-12/h3-6H,2H2,1H3,(H2,14,18)(H4,13,15,16,17)
InChIKeyPYZNIXGYDDRZLC-UHFFFAOYSA-N
XLogP1.40
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide (CID 86701910) is 5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide is CCc1cccc(Nc2n[nH]c(N)c2C(N)=O)c1.
What is the InChIKey of 5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide?
The InChIKey is PYZNIXGYDDRZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-2-7-4-3-5-8(6-7)15-12-9(11(14)18)10(13)16-17-12/h3-6H,2H2,1H3,(H2,14,18)(H4,13,15,16,17).
What are the key properties of 5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide?
5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-ethylanilino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86701910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).