4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide

C11H18N4O2 — CID 62082095

IUPAC4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC(C)C2CCCO2)c1N
InChIInChI=1S/C11H18N4O2/c1-6(8-4-3-5-17-8)13-11(16)10-9(12)7(2)14-15-10/h6,8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyDIFFNTWDIGRLDJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.60
Rot. Bonds3

About 4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 62082095) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID62082095
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC(C)C2CCCO2)c1N
InChIInChI=1S/C11H18N4O2/c1-6(8-4-3-5-17-8)13-11(16)10-9(12)7(2)14-15-10/h6,8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyDIFFNTWDIGRLDJ-UHFFFAOYSA-N
XLogP0.60
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 62082095) is 4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC(C)C2CCCO2)c1N.
What is the InChIKey of 4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is DIFFNTWDIGRLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-6(8-4-3-5-17-8)13-11(16)10-9(12)7(2)14-15-10/h6,8H,3-5,12H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).