4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide

C13H20N6O — CID 62077396

IUPAC4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccnn2C(C)C)c1N
InChIInChI=1S/C13H20N6O/c1-7(2)11-10(14)12(18-17-11)13(20)16-9-5-6-15-19(9)8(3)4/h5-8H,14H2,1-4H3,(H,16,20)(H,17,18)
InChIKeyBVVDIYJQDVCFQR-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.14
Rot. Bonds4

About 4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide

4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide (PubChem CID 62077396) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide
PubChem CID62077396
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)Nc2ccnn2C(C)C)c1N
InChIInChI=1S/C13H20N6O/c1-7(2)11-10(14)12(18-17-11)13(20)16-9-5-6-15-19(9)8(3)4/h5-8H,14H2,1-4H3,(H,16,20)(H,17,18)
InChIKeyBVVDIYJQDVCFQR-UHFFFAOYSA-N
XLogP2.14
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide (CID 62077396) is 4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)Nc2ccnn2C(C)C)c1N.
What is the InChIKey of 4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is BVVDIYJQDVCFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-7(2)11-10(14)12(18-17-11)13(20)16-9-5-6-15-19(9)8(3)4/h5-8H,14H2,1-4H3,(H,16,20)(H,17,18).
What are the key properties of 4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide?
4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).