N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide

C11H18N4O2 — CID 47400529

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1ccn[nH]1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18N4O2/c1-7(9(16)14-11(2,3)4)13-10(17)8-5-6-12-15-8/h5-7H,1-4H3,(H,12,15)(H,13,17)(H,14,16)
InChIKeyPGZOXQNNYQDKPZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.44
Rot. Bonds3

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 47400529) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
PubChem CID47400529
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCC(NC(=O)c1ccn[nH]1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H18N4O2/c1-7(9(16)14-11(2,3)4)13-10(17)8-5-6-12-15-8/h5-7H,1-4H3,(H,12,15)(H,13,17)(H,14,16)
InChIKeyPGZOXQNNYQDKPZ-UHFFFAOYSA-N
XLogP0.44
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide (CID 47400529) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide is CC(NC(=O)c1ccn[nH]1)C(=O)NC(C)(C)C.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is PGZOXQNNYQDKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(9(16)14-11(2,3)4)13-10(17)8-5-6-12-15-8/h5-7H,1-4H3,(H,12,15)(H,13,17)(H,14,16).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47400529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).