(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide

C14H21N5O — CID 124849946

IUPAC(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide
SMILESCCn1cncc1CNC(=O)[C@@H](C)n1nc(C)cc1C
InChIInChI=1S/C14H21N5O/c1-5-18-9-15-7-13(18)8-16-14(20)12(4)19-11(3)6-10(2)17-19/h6-7,9,12H,5,8H2,1-4H3,(H,16,20)/t12-/m1/s1
InChIKeyPSMSPDNUVSFWSO-GFCCVEGCSA-N
MW275.36 g/mol
LogP1.59
Rot. Bonds5

About (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide

(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide (PubChem CID 124849946) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide
PubChem CID124849946
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide
SMILESCCn1cncc1CNC(=O)[C@@H](C)n1nc(C)cc1C
InChIInChI=1S/C14H21N5O/c1-5-18-9-15-7-13(18)8-16-14(20)12(4)19-11(3)6-10(2)17-19/h6-7,9,12H,5,8H2,1-4H3,(H,16,20)/t12-/m1/s1
InChIKeyPSMSPDNUVSFWSO-GFCCVEGCSA-N
XLogP1.59
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 50955551
2-[(2S,5R)-5-(aminomethyl)-1-methylpyrrolidin-2-yl]-N-[(3-ethylimidazol-4-yl)methyl]acetamide
CID 166614544
N-[(1-ethylpyrazol-4-yl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534690
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide
CID 122569446
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 124616477
N-(2-aminophenyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide;dihydrochloride
CID 119422814
2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 111446024
4-[2-(3,5-dimethylpyrazol-1-yl)propanoyl]-N-ethylpiperazine-1-carboxamide
CID 56785284

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide (CID 124849946) is (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide is CCn1cncc1CNC(=O)[C@@H](C)n1nc(C)cc1C.
What is the InChIKey of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide?
The InChIKey is PSMSPDNUVSFWSO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-18-9-15-7-13(18)8-16-14(20)12(4)19-11(3)6-10(2)17-19/h6-7,9,12H,5,8H2,1-4H3,(H,16,20)/t12-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide?
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide has a molecular weight of 275.36 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide is sourced from PubChem (CID 124849946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).