(2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide

C22H29N5O — CID 97186963

IUPAC(2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H](C)n3ccnc3C(C)C)c2)n1
InChIInChI=1S/C22H29N5O/c1-15(2)21-23-10-11-26(21)18(5)22(28)25(6)14-19-8-7-9-20(13-19)27-17(4)12-16(3)24-27/h7-13,15,18H,14H2,1-6H3/t18-/m1/s1
InChIKeyRWSFJGGKOXLNKK-GOSISDBHSA-N
MW379.51 g/mol
LogP4.03
Rot. Bonds6

About (2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide

(2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 97186963) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is (2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID97186963
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name(2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H](C)n3ccnc3C(C)C)c2)n1
InChIInChI=1S/C22H29N5O/c1-15(2)21-23-10-11-26(21)18(5)22(28)25(6)14-19-8-7-9-20(13-19)27-17(4)12-16(3)24-27/h7-13,15,18H,14H2,1-6H3/t18-/m1/s1
InChIKeyRWSFJGGKOXLNKK-GOSISDBHSA-N
XLogP4.03
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylcarbamoyl]amino]propanoic acid
CID 126446033
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CID 118784163
3-[(2R)-3-(dimethylamino)-2-methylpropyl]-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methylurea
CID 125445042
6-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl-methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 134703926
(2R)-N-(2-amino-2-oxoethyl)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97275416
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-methylurea
CID 122569460
3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanoic acid
CID 82478484
2-[3-(3,5-dimethylpyrazol-1-yl)phenyl]acetic acid;ethane
CID 144722920
(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 97200953
1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1-methyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 121499311
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]acetamide
CID 97274352
(2R)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 97204137

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 97186963) is (2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide is Cc1cc(C)n(-c2cccc(CN(C)C(=O)[C@@H](C)n3ccnc3C(C)C)c2)n1.
What is the InChIKey of (2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is RWSFJGGKOXLNKK-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N5O/c1-15(2)21-23-10-11-26(21)18(5)22(28)25(6)14-19-8-7-9-20(13-19)27-17(4)12-16(3)24-27/h7-13,15,18H,14H2,1-6H3/t18-/m1/s1.
What are the key properties of (2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide?
(2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 379.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 97186963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).