(2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide

C9H16N4O — CID 104617946

IUPAC(2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide
SMILESCCc1cc(NC(=O)[C@H](N)CC)n[nH]1
InChIInChI=1S/C9H16N4O/c1-3-6-5-8(13-12-6)11-9(14)7(10)4-2/h5,7H,3-4,10H2,1-2H3,(H2,11,12,13,14)/t7-/m1/s1
InChIKeyVHCMSPQJLSBCMX-SSDOTTSWSA-N
MW196.25 g/mol
LogP0.65
Rot. Bonds4

About (2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide

(2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide (PubChem CID 104617946) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide
PubChem CID104617946
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide
SMILESCCc1cc(NC(=O)[C@H](N)CC)n[nH]1
InChIInChI=1S/C9H16N4O/c1-3-6-5-8(13-12-6)11-9(14)7(10)4-2/h5,7H,3-4,10H2,1-2H3,(H2,11,12,13,14)/t7-/m1/s1
InChIKeyVHCMSPQJLSBCMX-SSDOTTSWSA-N
XLogP0.65
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
CID 103950165
(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide
CID 104618065
2-amino-N-(5-propan-2-yl-1H-pyrazol-3-yl)butanamide
CID 115976338
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
4-amino-N-(5-ethyl-1H-pyrazol-3-yl)pentanamide
CID 104617963
N-(5-ethyl-1H-pyrazol-3-yl)-3-methylpentanamide
CID 114875544
(2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104618040
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2-phenylpropanamide
CID 104618025
2-methylpropyl N-(5-ethyl-1H-pyrazol-3-yl)carbamate
CID 104620381
(2S)-2-amino-3-methyl-N-(5-methyl-1H-pyrazol-3-yl)pentanamide
CID 63823173
2-ethyl-N-(5-methyl-1H-pyrazol-3-yl)butanamide
CID 63820066
1-ethyl-3-(5-ethyl-1H-pyrazol-3-yl)-1-methylurea
CID 104620385

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of (2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide (CID 104617946) is (2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for (2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide is CCc1cc(NC(=O)[C@H](N)CC)n[nH]1.
What is the InChIKey of (2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide?
The InChIKey is VHCMSPQJLSBCMX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-6-5-8(13-12-6)11-9(14)7(10)4-2/h5,7H,3-4,10H2,1-2H3,(H2,11,12,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide?
(2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide has a molecular weight of 196.25 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 104617946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).