2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide

C10H18N4O — CID 43663763

IUPAC2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
SMILESCc1[nH]ncc1CNCC(=O)NC(C)C
InChIInChI=1S/C10H18N4O/c1-7(2)13-10(15)6-11-4-9-5-12-14-8(9)3/h5,7,11H,4,6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeySLRLBNVADTVNMP-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.33
Rot. Bonds5

About 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide

2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide (PubChem CID 43663763) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
PubChem CID43663763
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
SMILESCc1[nH]ncc1CNCC(=O)NC(C)C
InChIInChI=1S/C10H18N4O/c1-7(2)13-10(15)6-11-4-9-5-12-14-8(9)3/h5,7,11H,4,6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeySLRLBNVADTVNMP-UHFFFAOYSA-N
XLogP0.33
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide (CID 43663763) is 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide is Cc1[nH]ncc1CNCC(=O)NC(C)C.
What is the InChIKey of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide?
The InChIKey is SLRLBNVADTVNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)13-10(15)6-11-4-9-5-12-14-8(9)3/h5,7,11H,4,6H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide?
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide has a molecular weight of 210.28 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43663763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).