(2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide

C19H23N5O — CID 96570122

IUPAC(2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide
SMILESCc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@@H](C)n3ccnc3)cc2)n1
InChIInChI=1S/C19H23N5O/c1-13-11-14(2)24(22-13)18-7-5-17(6-8-18)15(3)21-19(25)16(4)23-10-9-20-12-23/h5-12,15-16H,1-4H3,(H,21,25)/t15-,16-/m1/s1
InChIKeyMONIBUOPDRBWHB-HZPDHXFCSA-N
MW337.43 g/mol
LogP3.12
Rot. Bonds5

About (2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide

(2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide (PubChem CID 96570122) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide
PubChem CID96570122
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide
SMILESCc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@@H](C)n3ccnc3)cc2)n1
InChIInChI=1S/C19H23N5O/c1-13-11-14(2)24(22-13)18-7-5-17(6-8-18)15(3)21-19(25)16(4)23-10-9-20-12-23/h5-12,15-16H,1-4H3,(H,21,25)/t15-,16-/m1/s1
InChIKeyMONIBUOPDRBWHB-HZPDHXFCSA-N
XLogP3.12
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylacetamide
CID 97031370
3-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylbutanamide;dihydrochloride
CID 120504201
(2S)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylsulfonylpropanamide
CID 95971898
2-imidazol-1-yl-N-[1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 47284474
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]pentanamide
CID 120565817
4-amino-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]butanamide
CID 119894668
1-[[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124591003
2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 119894640
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutanamide
CID 75430701
(2R)-N-[(1R)-1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-imidazol-1-ylpropanamide
CID 94446827
(2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119894609
(2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide
CID 97031376

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide (CID 96570122) is (2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide is Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)[C@@H](C)n3ccnc3)cc2)n1.
What is the InChIKey of (2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide?
The InChIKey is MONIBUOPDRBWHB-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-11-14(2)24(22-13)18-7-5-17(6-8-18)15(3)21-19(25)16(4)23-10-9-20-12-23/h5-12,15-16H,1-4H3,(H,21,25)/t15-,16-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide?
(2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide has a molecular weight of 337.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylpropanamide is sourced from PubChem (CID 96570122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).