2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide

C14H20N6O — CID 115290167

IUPAC2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)N(Cc2nccn2C)C2CC2)cn1
InChIInChI=1S/C14H20N6O/c1-18-6-5-16-12(18)9-20(11-3-4-11)14(21)13(15)10-7-17-19(2)8-10/h5-8,11,13H,3-4,9,15H2,1-2H3
InChIKeyXSMOVIPYHYYYOY-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.34
Rot. Bonds5

About 2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115290167) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115290167
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)N(Cc2nccn2C)C2CC2)cn1
InChIInChI=1S/C14H20N6O/c1-18-6-5-16-12(18)9-20(11-3-4-11)14(21)13(15)10-7-17-19(2)8-10/h5-8,11,13H,3-4,9,15H2,1-2H3
InChIKeyXSMOVIPYHYYYOY-UHFFFAOYSA-N
XLogP0.34
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-cyclopropyl-N-ethyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115289735
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76895168
2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 54871592
1-amino-4-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-4-yl)butan-2-one
CID 114533354
(2R)-2-cyclohexyl-N-cyclopropyl-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 90652770
2-amino-N-cyclopentyl-N-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290971
3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 64677936
2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 116676486
2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79813594
4-[cyclopropyl-[(1-methylimidazol-2-yl)methyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302424
N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63977624
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 115290167) is 2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(C(N)C(=O)N(Cc2nccn2C)C2CC2)cn1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is XSMOVIPYHYYYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-18-6-5-16-12(18)9-20(11-3-4-11)14(21)13(15)10-7-17-19(2)8-10/h5-8,11,13H,3-4,9,15H2,1-2H3.
What are the key properties of 2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 288.36 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115290167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).