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

C14H22N6O — CID 62080765

IUPAC4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2c(C)nn(C(C)C)c2C)c1N
InChIInChI=1S/C14H22N6O/c1-6-10-11(15)13(18-17-10)14(21)16-12-8(4)19-20(7(2)3)9(12)5/h7H,6,15H2,1-5H3,(H,16,21)(H,17,18)
InChIKeyHSRCWOAIUSLSIV-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.20
Rot. Bonds4

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

4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 62080765) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID62080765
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2c(C)nn(C(C)C)c2C)c1N
InChIInChI=1S/C14H22N6O/c1-6-10-11(15)13(18-17-10)14(21)16-12-8(4)19-20(7(2)3)9(12)5/h7H,6,15H2,1-5H3,(H,16,21)(H,17,18)
InChIKeyHSRCWOAIUSLSIV-UHFFFAOYSA-N
XLogP2.20
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide (CID 62080765) is 4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)Nc2c(C)nn(C(C)C)c2C)c1N.
What is the InChIKey of 4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is HSRCWOAIUSLSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-6-10-11(15)13(18-17-10)14(21)16-12-8(4)19-20(7(2)3)9(12)5/h7H,6,15H2,1-5H3,(H,16,21)(H,17,18).
What are the key properties of 4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide?
4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62080765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).