3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol

C10H18BrN5O2 — CID 162381883

IUPAC3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol
SMILESCC(O)C1CCCN1.NC(=O)c1c(N)n[nH]c1Br
InChIInChI=1S/C6H13NO.C4H5BrN4O/c1-5(8)6-3-2-4-7-6;5-2-1(4(7)10)3(6)9-8-2/h5-8H,2-4H2,1H3;(H2,7,10)(H3,6,8,9)
InChIKeyZFJHZNZHFZKMPG-UHFFFAOYSA-N
MW320.19 g/mol
LogP-0.03
Rot. Bonds2

About 3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol

3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol (PubChem CID 162381883) has the molecular formula C10H18BrN5O2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol
PubChem CID162381883
Molecular FormulaC10H18BrN5O2
Molecular Weight320.19 g/mol
Exact Mass319.06
IUPAC Name3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol
SMILESCC(O)C1CCCN1.NC(=O)c1c(N)n[nH]c1Br
InChIInChI=1S/C6H13NO.C4H5BrN4O/c1-5(8)6-3-2-4-7-6;5-2-1(4(7)10)3(6)9-8-2/h5-8H,2-4H2,1H3;(H2,7,10)(H3,6,8,9)
InChIKeyZFJHZNZHFZKMPG-UHFFFAOYSA-N
XLogP-0.03
TPSA130.05 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol?
The IUPAC name of 3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol (CID 162381883) is 3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol.
What is the SMILES notation for 3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol?
The canonical SMILES for 3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol is CC(O)C1CCCN1.NC(=O)c1c(N)n[nH]c1Br.
What is the InChIKey of 3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol?
The InChIKey is ZFJHZNZHFZKMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C4H5BrN4O/c1-5(8)6-3-2-4-7-6;5-2-1(4(7)10)3(6)9-8-2/h5-8H,2-4H2,1H3;(H2,7,10)(H3,6,8,9).
What are the key properties of 3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol?
3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol has a molecular weight of 320.19 g/mol, XLogP of -0.03, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-1H-pyrazole-4-carboxamide;1-pyrrolidin-2-ylethanol is sourced from PubChem (CID 162381883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).