5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide

C19H23N5O2 — CID 42510788

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C)n(Cc2cc(C(=O)N(C)CCOc3ccccc3)n[nH]2)n1
InChIInChI=1S/C19H23N5O2/c1-14-11-15(2)24(22-14)13-16-12-18(21-20-16)19(25)23(3)9-10-26-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,21)
InChIKeyCHVBZDLYHFJPGV-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.42
Rot. Bonds7

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide (PubChem CID 42510788) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide
PubChem CID42510788
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C)n(Cc2cc(C(=O)N(C)CCOc3ccccc3)n[nH]2)n1
InChIInChI=1S/C19H23N5O2/c1-14-11-15(2)24(22-14)13-16-12-18(21-20-16)19(25)23(3)9-10-26-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,21)
InChIKeyCHVBZDLYHFJPGV-UHFFFAOYSA-N
XLogP2.42
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 42515322
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
CID 42519717
5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
CID 38579323
3-phenoxypropyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55568167
N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56749227
N-methyl-N-(3-phenoxypropyl)-2H-triazole-4-carboxamide
CID 112733409
N,1,3-trimethyl-N-(2-phenoxyethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 51304910
1-benzyl-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 31795511
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 61042256
2-[2-[methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]ethyl]benzoic acid
CID 104547005
4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 61114831

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide (CID 42510788) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide is Cc1cc(C)n(Cc2cc(C(=O)N(C)CCOc3ccccc3)n[nH]2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is CHVBZDLYHFJPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-14-11-15(2)24(22-14)13-16-12-18(21-20-16)19(25)23(3)9-10-26-17-7-5-4-6-8-17/h4-8,11-12H,9-10,13H2,1-3H3,(H,20,21).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42510788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).