2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide

C16H28N4O — CID 115290976

IUPAC2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(C)CC1(CNC(=O)C(N)c2cnn(C)c2)CCCC1
InChIInChI=1S/C16H28N4O/c1-12(2)8-16(6-4-5-7-16)11-18-15(21)14(17)13-9-19-20(3)10-13/h9-10,12,14H,4-8,11,17H2,1-3H3,(H,18,21)
InChIKeyDJMKTWLARAXLJD-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.14
Rot. Bonds6

About 2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115290976) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115290976
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCC(C)CC1(CNC(=O)C(N)c2cnn(C)c2)CCCC1
InChIInChI=1S/C16H28N4O/c1-12(2)8-16(6-4-5-7-16)11-18-15(21)14(17)13-9-19-20(3)10-13/h9-10,12,14H,4-8,11,17H2,1-3H3,(H,18,21)
InChIKeyDJMKTWLARAXLJD-UHFFFAOYSA-N
XLogP2.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115360077
1-[[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436333
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290396
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290422
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761168
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106286706
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
CID 114162023
2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290756
2-[[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430335

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 115290976) is 2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide is CC(C)CC1(CNC(=O)C(N)c2cnn(C)c2)CCCC1.
What is the InChIKey of 2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is DJMKTWLARAXLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)8-16(6-4-5-7-16)11-18-15(21)14(17)13-9-19-20(3)10-13/h9-10,12,14H,4-8,11,17H2,1-3H3,(H,18,21).
What are the key properties of 2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 292.43 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115290976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).