(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide

C19H28N4O2 — CID 124758731

IUPAC(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide
SMILESCC[C@@H](C(=O)Nc1ccc(OC)cc1)N(C)CCn1nc(C)cc1C
InChIInChI=1S/C19H28N4O2/c1-6-18(19(24)20-16-7-9-17(25-5)10-8-16)22(4)11-12-23-15(3)13-14(2)21-23/h7-10,13,18H,6,11-12H2,1-5H3,(H,20,24)/t18-/m0/s1
InChIKeyZMSGPARVSIGOKN-SFHVURJKSA-N
MW344.46 g/mol
LogP2.86
Rot. Bonds8

About (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide

(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide (PubChem CID 124758731) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide
PubChem CID124758731
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide
SMILESCC[C@@H](C(=O)Nc1ccc(OC)cc1)N(C)CCn1nc(C)cc1C
InChIInChI=1S/C19H28N4O2/c1-6-18(19(24)20-16-7-9-17(25-5)10-8-16)22(4)11-12-23-15(3)13-14(2)21-23/h7-10,13,18H,6,11-12H2,1-5H3,(H,20,24)/t18-/m0/s1
InChIKeyZMSGPARVSIGOKN-SFHVURJKSA-N
XLogP2.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)butanamide
CID 8722005
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(4-methoxyphenyl)butanamide
CID 91842429
1-(4-methoxyphenyl)-3-(5-methyl-2-propylpyrazol-3-yl)urea
CID 39853401
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-[(4-methylphenyl)methyl]amino]-N-(4-methoxyphenyl)butanamide
CID 43821492
N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553830
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-pyridin-2-ylpropanamide
CID 124849534
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)butanamide
CID 34714078
3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86912648
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 124846533
2-(4-methoxyphenoxy)-N-[4-(5-methyltriazol-1-yl)phenyl]butanamide
CID 17034278

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide?
The IUPAC name of (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide (CID 124758731) is (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide is CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(C)CCn1nc(C)cc1C.
What is the InChIKey of (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide?
The InChIKey is ZMSGPARVSIGOKN-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-6-18(19(24)20-16-7-9-17(25-5)10-8-16)22(4)11-12-23-15(3)13-14(2)21-23/h7-10,13,18H,6,11-12H2,1-5H3,(H,20,24)/t18-/m0/s1.
What are the key properties of (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide?
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide has a molecular weight of 344.46 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 124758731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).