2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride

C11H21ClN4O — CID 119322411

IUPAC2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(C)c1cnn(C)c1.Cl
InChIInChI=1S/C11H20N4O.ClH/c1-4-5-10(12)11(16)14-8(2)9-6-13-15(3)7-9;/h6-8,10H,4-5,12H2,1-3H3,(H,14,16);1H
InChIKeyQCOJIKHMFIBYEK-UHFFFAOYSA-N
MW260.77 g/mol
LogP1.15
Rot. Bonds5

About 2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride

2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride (PubChem CID 119322411) has the molecular formula C11H21ClN4O and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride
PubChem CID119322411
Molecular FormulaC11H21ClN4O
Molecular Weight260.77 g/mol
Exact Mass260.14
IUPAC Name2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(C)c1cnn(C)c1.Cl
InChIInChI=1S/C11H20N4O.ClH/c1-4-5-10(12)11(16)14-8(2)9-6-13-15(3)7-9;/h6-8,10H,4-5,12H2,1-3H3,(H,14,16);1H
InChIKeyQCOJIKHMFIBYEK-UHFFFAOYSA-N
XLogP1.15
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopentanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279611
2-amino-N-[1-(4-propan-2-ylphenyl)ethyl]pentanamide;hydrochloride
CID 119269406
(2R)-2-amino-N-[(1R)-1-pyridin-4-ylethyl]pentanamide
CID 107570248
3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 119781515
2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
2-[[(2S)-2-aminobutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279603
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291021
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 119957335
(2R)-2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 103794045
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]pentanamide
CID 61249825
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288800

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride (CID 119322411) is 2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride is CCCC(N)C(=O)NC(C)c1cnn(C)c1.Cl.
What is the InChIKey of 2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride?
The InChIKey is QCOJIKHMFIBYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O.ClH/c1-4-5-10(12)11(16)14-8(2)9-6-13-15(3)7-9;/h6-8,10H,4-5,12H2,1-3H3,(H,14,16);1H.
What are the key properties of 2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride?
2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride has a molecular weight of 260.77 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1-methylpyrazol-4-yl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119322411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).