1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide

C9H13N5O3 — CID 63102687

IUPAC1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)c1[nH]ncc1N
InChIInChI=1S/C9H13N5O3/c10-5-2-12-13-7(5)9(17)14-3-4(15)1-6(14)8(11)16/h2,4,6,15H,1,3,10H2,(H2,11,16)(H,12,13)
InChIKeySODXGCPGSJUNKZ-UHFFFAOYSA-N
MW239.24 g/mol
LogP-1.95
Rot. Bonds2

About 1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide

1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 63102687) has the molecular formula C9H13N5O3 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID63102687
Molecular FormulaC9H13N5O3
Molecular Weight239.24 g/mol
Exact Mass239.10
IUPAC Name1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)c1[nH]ncc1N
InChIInChI=1S/C9H13N5O3/c10-5-2-12-13-7(5)9(17)14-3-4(15)1-6(14)8(11)16/h2,4,6,15H,1,3,10H2,(H2,11,16)(H,12,13)
InChIKeySODXGCPGSJUNKZ-UHFFFAOYSA-N
XLogP-1.95
TPSA138.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide (CID 63102687) is 1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1C(=O)c1[nH]ncc1N.
What is the InChIKey of 1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is SODXGCPGSJUNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c10-5-2-12-13-7(5)9(17)14-3-4(15)1-6(14)8(11)16/h2,4,6,15H,1,3,10H2,(H2,11,16)(H,12,13).
What are the key properties of 1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide?
1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 239.24 g/mol, XLogP of -1.95, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 63102687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).