2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

C11H16N6O — CID 113279847

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C11H16N6O/c1-7-8(4-14-16-7)3-13-11(18)10(12)9-5-15-17(2)6-9/h4-6,10H,3,12H2,1-2H3,(H,13,18)(H,14,16)
InChIKeyKALVUVUWHSKJLB-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.23
Rot. Bonds4

About 2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (PubChem CID 113279847) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
PubChem CID113279847
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
SMILESCc1[nH]ncc1CNC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C11H16N6O/c1-7-8(4-14-16-7)3-13-11(18)10(12)9-5-15-17(2)6-9/h4-6,10H,3,12H2,1-2H3,(H,13,18)(H,14,16)
InChIKeyKALVUVUWHSKJLB-UHFFFAOYSA-N
XLogP-0.23
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106047403
2-amino-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 54896815
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 79013070
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290756
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
2-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106396565
2-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290268
2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 113279783
2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 115289633
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
CID 114162023

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide (CID 113279847) is 2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is Cc1[nH]ncc1CNC(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
The InChIKey is KALVUVUWHSKJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7-8(4-14-16-7)3-13-11(18)10(12)9-5-15-17(2)6-9/h4-6,10H,3,12H2,1-2H3,(H,13,18)(H,14,16).
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide?
2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide has a molecular weight of 248.29 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 113279847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).