2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid

C8H14N4O2 — CID 154963394

IUPAC2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid
SMILESCN(C(=O)O)C(C)(C)c1cc(N)n[nH]1
InChIInChI=1S/C8H14N4O2/c1-8(2,12(3)7(13)14)5-4-6(9)11-10-5/h4H,1-3H3,(H,13,14)(H3,9,10,11)
InChIKeyMWIPNDXNIWKMMF-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.84
Rot. Bonds2

About 2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid

2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid (PubChem CID 154963394) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid.

Molecular Properties

Compound Name2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid
PubChem CID154963394
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid
SMILESCN(C(=O)O)C(C)(C)c1cc(N)n[nH]1
InChIInChI=1S/C8H14N4O2/c1-8(2,12(3)7(13)14)5-4-6(9)11-10-5/h4H,1-3H3,(H,13,14)(H3,9,10,11)
InChIKeyMWIPNDXNIWKMMF-UHFFFAOYSA-N
XLogP0.84
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid?
The IUPAC name of 2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid (CID 154963394) is 2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid.
What is the SMILES notation for 2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid?
The canonical SMILES for 2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid is CN(C(=O)O)C(C)(C)c1cc(N)n[nH]1.
What is the InChIKey of 2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid?
The InChIKey is MWIPNDXNIWKMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-8(2,12(3)7(13)14)5-4-6(9)11-10-5/h4H,1-3H3,(H,13,14)(H3,9,10,11).
What are the key properties of 2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid?
2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid has a molecular weight of 198.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-pyrazol-5-yl)propan-2-yl-methylcarbamic acid is sourced from PubChem (CID 154963394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).