N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

C19H25N3O3 — CID 56749227

IUPACN-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCN(CCC1(O)CCCC1)C(=O)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C19H25N3O3/c1-22(12-11-19(24)9-5-6-10-19)18(23)17-13-15(20-21-17)14-25-16-7-3-2-4-8-16/h2-4,7-8,13,24H,5-6,9-12,14H2,1H3,(H,20,21)
InChIKeyWQFBUKFCHQJLJK-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.76
Rot. Bonds7

About N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56749227) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
PubChem CID56749227
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCN(CCC1(O)CCCC1)C(=O)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C19H25N3O3/c1-22(12-11-19(24)9-5-6-10-19)18(23)17-13-15(20-21-17)14-25-16-7-3-2-4-8-16/h2-4,7-8,13,24H,5-6,9-12,14H2,1H3,(H,20,21)
InChIKeyWQFBUKFCHQJLJK-UHFFFAOYSA-N
XLogP2.76
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95207016
N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95212814
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95191517
N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56755829
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56744380
5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 56747947
5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
CID 38579323
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-3-carboxamide
CID 42510788
N-[(2-methylphenyl)methyl]-5-(phenoxymethyl)-N-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56755639
2-[(2-fluorophenoxy)methyl]-N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-1,3-oxazole-4-carboxamide
CID 56707631
N-[(2R)-2,3-dihydroxypropyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 95559001
N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95189761

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (CID 56749227) is N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is CN(CCC1(O)CCCC1)C(=O)c1cc(COc2ccccc2)[nH]n1.
What is the InChIKey of N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is WQFBUKFCHQJLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-22(12-11-19(24)9-5-6-10-19)18(23)17-13-15(20-21-17)14-25-16-7-3-2-4-8-16/h2-4,7-8,13,24H,5-6,9-12,14H2,1H3,(H,20,21).
What are the key properties of N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxycyclopentyl)ethyl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56749227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).