4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide

C10H17N5O2 — CID 63104484

IUPAC4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1[nH]ncc1N
InChIInChI=1S/C10H17N5O2/c1-6(2)4-15(5-8(12)16)10(17)9-7(11)3-13-14-9/h3,6H,4-5,11H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyCAPOUZVWJNDMTA-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.42
Rot. Bonds5

About 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide

4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide (PubChem CID 63104484) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
PubChem CID63104484
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1[nH]ncc1N
InChIInChI=1S/C10H17N5O2/c1-6(2)4-15(5-8(12)16)10(17)9-7(11)3-13-14-9/h3,6H,4-5,11H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyCAPOUZVWJNDMTA-UHFFFAOYSA-N
XLogP-0.42
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide (CID 63104484) is 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide is CC(C)CN(CC(N)=O)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is CAPOUZVWJNDMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6(2)4-15(5-8(12)16)10(17)9-7(11)3-13-14-9/h3,6H,4-5,11H2,1-2H3,(H2,12,16)(H,13,14).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63104484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).