3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide

C19H25N3O2 — CID 111110477

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NCC1(O)CCCc2ccccc21
InChIInChI=1S/C19H25N3O2/c1-13-16(14(2)22-21-13)9-10-18(23)20-12-19(24)11-5-7-15-6-3-4-8-17(15)19/h3-4,6,8,24H,5,7,9-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyLWTRUSOILWRFFC-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.30
Rot. Bonds5

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide (PubChem CID 111110477) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide
PubChem CID111110477
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide
SMILESCc1n[nH]c(C)c1CCC(=O)NCC1(O)CCCc2ccccc21
InChIInChI=1S/C19H25N3O2/c1-13-16(14(2)22-21-13)9-10-18(23)20-12-19(24)11-5-7-15-6-3-4-8-17(15)19/h3-4,6,8,24H,5,7,9-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyLWTRUSOILWRFFC-UHFFFAOYSA-N
XLogP2.30
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide (CID 111110477) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide is Cc1n[nH]c(C)c1CCC(=O)NCC1(O)CCCc2ccccc21.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide?
The InChIKey is LWTRUSOILWRFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-16(14(2)22-21-13)9-10-18(23)20-12-19(24)11-5-7-15-6-3-4-8-17(15)19/h3-4,6,8,24H,5,7,9-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]propanamide is sourced from PubChem (CID 111110477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).