1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide

C13H16N4O — CID 64782741

IUPAC1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCc1ccccc1C(CN)n1cc(C(N)=O)cn1
InChIInChI=1S/C13H16N4O/c1-9-4-2-3-5-11(9)12(6-14)17-8-10(7-16-17)13(15)18/h2-5,7-8,12H,6,14H2,1H3,(H2,15,18)
InChIKeyNRSPTYAYYPGMKR-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.84
Rot. Bonds4

About 1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide

1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 64782741) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID64782741
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCc1ccccc1C(CN)n1cc(C(N)=O)cn1
InChIInChI=1S/C13H16N4O/c1-9-4-2-3-5-11(9)12(6-14)17-8-10(7-16-17)13(15)18/h2-5,7-8,12H,6,14H2,1H3,(H2,15,18)
InChIKeyNRSPTYAYYPGMKR-UHFFFAOYSA-N
XLogP0.84
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide (CID 64782741) is 1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide is Cc1ccccc1C(CN)n1cc(C(N)=O)cn1.
What is the InChIKey of 1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is NRSPTYAYYPGMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-4-2-3-5-11(9)12(6-14)17-8-10(7-16-17)13(15)18/h2-5,7-8,12H,6,14H2,1H3,(H2,15,18).
What are the key properties of 1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide?
1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(2-methylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 64782741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).