3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide

C10H19N5O — CID 106095591

IUPAC3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide
SMILESCc1nn(C)c(NC(C)(C)CC(N)=O)c1N
InChIInChI=1S/C10H19N5O/c1-6-8(12)9(15(4)14-6)13-10(2,3)5-7(11)16/h13H,5,12H2,1-4H3,(H2,11,16)
InChIKeyBZQBEHNTMUTQPE-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.38
Rot. Bonds4

About 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide

3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide (PubChem CID 106095591) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide
PubChem CID106095591
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide
SMILESCc1nn(C)c(NC(C)(C)CC(N)=O)c1N
InChIInChI=1S/C10H19N5O/c1-6-8(12)9(15(4)14-6)13-10(2,3)5-7(11)16/h13H,5,12H2,1-4H3,(H2,11,16)
InChIKeyBZQBEHNTMUTQPE-UHFFFAOYSA-N
XLogP0.38
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide (CID 106095591) is 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide is Cc1nn(C)c(NC(C)(C)CC(N)=O)c1N.
What is the InChIKey of 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide?
The InChIKey is BZQBEHNTMUTQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-6-8(12)9(15(4)14-6)13-10(2,3)5-7(11)16/h13H,5,12H2,1-4H3,(H2,11,16).
What are the key properties of 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide?
3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide has a molecular weight of 225.30 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]-3-methylbutanamide is sourced from PubChem (CID 106095591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).