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

C18H24N4O2 — CID 56753034

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C18H24N4O2/c1-2-22-10-6-7-15(22)12-19-18(23)17-11-14(20-21-17)13-24-16-8-4-3-5-9-16/h3-5,8-9,11,15H,2,6-7,10,12-13H2,1H3,(H,19,23)(H,20,21)/t15-/m1/s1
InChIKeyVMLNFKCJMVEWKG-OAHLLOKOSA-N
MW328.42 g/mol
LogP2.20
Rot. Bonds7

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

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56753034) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
PubChem CID56753034
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C18H24N4O2/c1-2-22-10-6-7-15(22)12-19-18(23)17-11-14(20-21-17)13-24-16-8-4-3-5-9-16/h3-5,8-9,11,15H,2,6-7,10,12-13H2,1H3,(H,19,23)(H,20,21)/t15-/m1/s1
InChIKeyVMLNFKCJMVEWKG-OAHLLOKOSA-N
XLogP2.20
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (CID 56753034) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is CCN1CCC[C@@H]1CNC(=O)c1cc(COc2ccccc2)[nH]n1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is VMLNFKCJMVEWKG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-22-10-6-7-15(22)12-19-18(23)17-11-14(20-21-17)13-24-16-8-4-3-5-9-16/h3-5,8-9,11,15H,2,6-7,10,12-13H2,1H3,(H,19,23)(H,20,21)/t15-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56753034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).