2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide

C11H19N5O2 — CID 112639590

IUPAC2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide
SMILESCC(C)(C)c1cc(NC(=O)C(N)CC(N)=O)n[nH]1
InChIInChI=1S/C11H19N5O2/c1-11(2,3)7-5-9(16-15-7)14-10(18)6(12)4-8(13)17/h5-6H,4,12H2,1-3H3,(H2,13,17)(H2,14,15,16,18)
InChIKeyRZMSOLBABSNCKF-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.15
Rot. Bonds4

About 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide

2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide (PubChem CID 112639590) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide
PubChem CID112639590
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide
SMILESCC(C)(C)c1cc(NC(=O)C(N)CC(N)=O)n[nH]1
InChIInChI=1S/C11H19N5O2/c1-11(2,3)7-5-9(16-15-7)14-10(18)6(12)4-8(13)17/h5-6H,4,12H2,1-3H3,(H2,13,17)(H2,14,15,16,18)
InChIKeyRZMSOLBABSNCKF-UHFFFAOYSA-N
XLogP-0.15
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide
CID 104618654
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-4,4-dimethylpentanamide
CID 104618523
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 104618640
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
CID 113235621
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide
CID 112686898
2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433621
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 82110660
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629
(2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 95294416
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-ethylbutanamide
CID 104618583
2-hydroxyethyl N-(5-tert-butyl-1H-pyrazol-3-yl)carbamate
CID 104621843

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide?
The IUPAC name of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide (CID 112639590) is 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide.
What is the SMILES notation for 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide?
The canonical SMILES for 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide is CC(C)(C)c1cc(NC(=O)C(N)CC(N)=O)n[nH]1.
What is the InChIKey of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide?
The InChIKey is RZMSOLBABSNCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-11(2,3)7-5-9(16-15-7)14-10(18)6(12)4-8(13)17/h5-6H,4,12H2,1-3H3,(H2,13,17)(H2,14,15,16,18).
What are the key properties of 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide?
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide has a molecular weight of 253.31 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide is sourced from PubChem (CID 112639590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).