N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

C17H21N3O3 — CID 42519117

IUPACN-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@H]1CCCCO1)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C17H21N3O3/c21-17(18-11-15-8-4-5-9-22-15)16-10-13(19-20-16)12-23-14-6-2-1-3-7-14/h1-3,6-7,10,15H,4-5,8-9,11-12H2,(H,18,21)(H,19,20)/t15-/m1/s1
InChIKeyXYWGZJBNJCLUCK-OAHLLOKOSA-N
MW315.37 g/mol
LogP2.29
Rot. Bonds6

About N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (PubChem CID 42519117) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
PubChem CID42519117
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC[C@H]1CCCCO1)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C17H21N3O3/c21-17(18-11-15-8-4-5-9-22-15)16-10-13(19-20-16)12-23-14-6-2-1-3-7-14/h1-3,6-7,10,15H,4-5,8-9,11-12H2,(H,18,21)(H,19,20)/t15-/m1/s1
InChIKeyXYWGZJBNJCLUCK-OAHLLOKOSA-N
XLogP2.29
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95212814
5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide
CID 25274700
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
N-(oxolan-2-ylmethyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24980461
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56744380
N-(oxolan-2-ylmethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 43044718
N-(oxolan-2-ylmethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244860
5-[(3-methoxyphenoxy)methyl]-N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95191517
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95189761
N-[[(2S)-oxan-2-yl]methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 42154892
N-(oxan-2-ylmethyl)-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-oxazole-4-carboxamide
CID 45171870

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (CID 42519117) is N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is O=C(NC[C@H]1CCCCO1)c1cc(COc2ccccc2)[nH]n1.
What is the InChIKey of N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is XYWGZJBNJCLUCK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-17(18-11-15-8-4-5-9-22-15)16-10-13(19-20-16)12-23-14-6-2-1-3-7-14/h1-3,6-7,10,15H,4-5,8-9,11-12H2,(H,18,21)(H,19,20)/t15-/m1/s1.
What are the key properties of N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42519117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).