5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide

C12H15N5O2 — CID 46948875

IUPAC5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide
SMILESCNc1n[nH]c(N)c1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C12H15N5O2/c1-14-11-9(10(13)16-17-11)12(18)15-7-3-5-8(19-2)6-4-7/h3-6H,1-2H3,(H,15,18)(H4,13,14,16,17)
InChIKeyVFNSASKGEFBVPB-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.29
Rot. Bonds4

About 5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide

5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide (PubChem CID 46948875) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide
PubChem CID46948875
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide
SMILESCNc1n[nH]c(N)c1C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C12H15N5O2/c1-14-11-9(10(13)16-17-11)12(18)15-7-3-5-8(19-2)6-4-7/h3-6H,1-2H3,(H,15,18)(H4,13,14,16,17)
InChIKeyVFNSASKGEFBVPB-UHFFFAOYSA-N
XLogP1.29
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide (CID 46948875) is 5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide is CNc1n[nH]c(N)c1C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide?
The InChIKey is VFNSASKGEFBVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-14-11-9(10(13)16-17-11)12(18)15-7-3-5-8(19-2)6-4-7/h3-6H,1-2H3,(H,15,18)(H4,13,14,16,17).
What are the key properties of 5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide?
5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide has a molecular weight of 261.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-methoxyphenyl)-3-(methylamino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 46948875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).