N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide

C19H25N3O3 — CID 72868574

IUPACN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCC2COc3c(cccc3OC)C2)c1C
InChIInChI=1S/C19H25N3O3/c1-4-8-22-13(2)16(11-21-22)19(23)20-10-14-9-15-6-5-7-17(24-3)18(15)25-12-14/h5-7,11,14H,4,8-10,12H2,1-3H3,(H,20,23)
InChIKeyTZQHSOZLVXLLEU-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.59
Rot. Bonds6

About N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide

N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 72868574) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide
PubChem CID72868574
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NCC2COc3c(cccc3OC)C2)c1C
InChIInChI=1S/C19H25N3O3/c1-4-8-22-13(2)16(11-21-22)19(23)20-10-14-9-15-6-5-7-17(24-3)18(15)25-12-14/h5-7,11,14H,4,8-10,12H2,1-3H3,(H,20,23)
InChIKeyTZQHSOZLVXLLEU-UHFFFAOYSA-N
XLogP2.59
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 97208608
6-ethyl-N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1,5-dimethyl-2-oxopyridine-3-carboxamide
CID 97191297
6-ethyl-N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1,5-dimethyl-2-oxopyridine-3-carboxamide
CID 97191298
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinoline-5-carboxamide
CID 72926769
4-chloro-2-fluoro-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
CID 72849484
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 97198807
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 97275977
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 97275621
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
CID 72877803
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 72839596
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide
CID 97275063

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide (CID 72868574) is N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NCC2COc3c(cccc3OC)C2)c1C.
What is the InChIKey of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is TZQHSOZLVXLLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-8-22-13(2)16(11-21-22)19(23)20-10-14-9-15-6-5-7-17(24-3)18(15)25-12-14/h5-7,11,14H,4,8-10,12H2,1-3H3,(H,20,23).
What are the key properties of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide?
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72868574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).