5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide

C11H19N5O2 — CID 114162023

IUPAC5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
SMILESCn1cc(C(N)C(=O)NCCCCC(N)=O)cn1
InChIInChI=1S/C11H19N5O2/c1-16-7-8(6-15-16)10(13)11(18)14-5-3-2-4-9(12)17/h6-7,10H,2-5,13H2,1H3,(H2,12,17)(H,14,18)
InChIKeyUVLSSQXYPNCVDN-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.81
Rot. Bonds7

About 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide

5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide (PubChem CID 114162023) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide.

Molecular Properties

Compound Name5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
PubChem CID114162023
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
SMILESCn1cc(C(N)C(=O)NCCCCC(N)=O)cn1
InChIInChI=1S/C11H19N5O2/c1-16-7-8(6-15-16)10(13)11(18)14-5-3-2-4-9(12)17/h6-7,10H,2-5,13H2,1H3,(H2,12,17)(H,14,18)
InChIKeyUVLSSQXYPNCVDN-UHFFFAOYSA-N
XLogP-0.81
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]hexanoic acid
CID 115290306
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290422
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289645
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761168
2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290756
2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289585
3-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-3-methylbutanamide
CID 106096606
2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106286706
(2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid
CID 103870099

Frequently Asked Questions

What is the IUPAC name of 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide?
The IUPAC name of 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide (CID 114162023) is 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide.
What is the SMILES notation for 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide?
The canonical SMILES for 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide is Cn1cc(C(N)C(=O)NCCCCC(N)=O)cn1.
What is the InChIKey of 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide?
The InChIKey is UVLSSQXYPNCVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-16-7-8(6-15-16)10(13)11(18)14-5-3-2-4-9(12)17/h6-7,10H,2-5,13H2,1H3,(H2,12,17)(H,14,18).
What are the key properties of 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide?
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide has a molecular weight of 253.31 g/mol, XLogP of -0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide is sourced from PubChem (CID 114162023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).