N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide

C8H13N3O2 — CID 20784993

IUPACN-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)(O)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O2/c1-8(2,13)5-9-7(12)6-3-10-11-4-6/h3-4,13H,5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyOSFZCFAXKVDIKG-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.09
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide

N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide (PubChem CID 20784993) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide
PubChem CID20784993
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide
SMILESCC(C)(O)CNC(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O2/c1-8(2,13)5-9-7(12)6-3-10-11-4-6/h3-4,13H,5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyOSFZCFAXKVDIKG-UHFFFAOYSA-N
XLogP-0.09
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide (CID 20784993) is N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide is CC(C)(O)CNC(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide?
The InChIKey is OSFZCFAXKVDIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,13)5-9-7(12)6-3-10-11-4-6/h3-4,13H,5H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide?
N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide has a molecular weight of 183.21 g/mol, XLogP of -0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 20784993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).