2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide

C10H18N4O — CID 61000626

IUPAC2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
SMILESCC(C)CC(N)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H18N4O/c1-7(2)3-9(11)10(15)12-4-8-5-13-14-6-8/h5-7,9H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyCNBORYMEFRHFFV-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.40
Rot. Bonds5

About 2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide

2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide (PubChem CID 61000626) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
PubChem CID61000626
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide
SMILESCC(C)CC(N)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H18N4O/c1-7(2)3-9(11)10(15)12-4-8-5-13-14-6-8/h5-7,9H,3-4,11H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyCNBORYMEFRHFFV-UHFFFAOYSA-N
XLogP0.40
TPSA83.80 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 ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide (CID 61000626) is 2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide is CC(C)CC(N)C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide?
The InChIKey is CNBORYMEFRHFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)3-9(11)10(15)12-4-8-5-13-14-6-8/h5-7,9H,3-4,11H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide?
2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide has a molecular weight of 210.28 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(1H-pyrazol-4-ylmethyl)pentanamide is sourced from PubChem (CID 61000626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).