4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide

C8H14N4O — CID 63106676

IUPAC4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)N(C)C(=O)c1[nH]ncc1N
InChIInChI=1S/C8H14N4O/c1-5(2)12(3)8(13)7-6(9)4-10-11-7/h4-5H,9H2,1-3H3,(H,10,11)
InChIKeyGFXVXAVSCMIDQD-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.47
Rot. Bonds2

About 4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide

4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 63106676) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID63106676
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)N(C)C(=O)c1[nH]ncc1N
InChIInChI=1S/C8H14N4O/c1-5(2)12(3)8(13)7-6(9)4-10-11-7/h4-5H,9H2,1-3H3,(H,10,11)
InChIKeyGFXVXAVSCMIDQD-UHFFFAOYSA-N
XLogP0.47
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide (CID 63106676) is 4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide is CC(C)N(C)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is GFXVXAVSCMIDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5(2)12(3)8(13)7-6(9)4-10-11-7/h4-5H,9H2,1-3H3,(H,10,11).
What are the key properties of 4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide?
4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63106676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).