N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide

C9H16N4O — CID 43662596

IUPACN-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide
SMILESCC(C)NC(=O)CNCc1ccn[nH]1
InChIInChI=1S/C9H16N4O/c1-7(2)12-9(14)6-10-5-8-3-4-11-13-8/h3-4,7,10H,5-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyAPZIIJMJSZMWIN-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.02
Rot. Bonds5

About N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide

N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide (PubChem CID 43662596) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide
PubChem CID43662596
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide
SMILESCC(C)NC(=O)CNCc1ccn[nH]1
InChIInChI=1S/C9H16N4O/c1-7(2)12-9(14)6-10-5-8-3-4-11-13-8/h3-4,7,10H,5-6H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyAPZIIJMJSZMWIN-UHFFFAOYSA-N
XLogP0.02
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
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N-propan-2-yl-2-(1H-pyrrol-2-ylmethylamino)acetamide
CID 60664312
2-acetamido-N-(1H-pyrazol-5-ylmethyl)propanamide
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3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 114875503
3-chloro-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 62728534
2-bromo-3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285500
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
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2-cyclobutyl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103706823

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide?
The IUPAC name of N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide (CID 43662596) is N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide?
The canonical SMILES for N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide is CC(C)NC(=O)CNCc1ccn[nH]1.
What is the InChIKey of N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide?
The InChIKey is APZIIJMJSZMWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(2)12-9(14)6-10-5-8-3-4-11-13-8/h3-4,7,10H,5-6H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide?
N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide has a molecular weight of 196.25 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(1H-pyrazol-5-ylmethylamino)acetamide is sourced from PubChem (CID 43662596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).