(2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide

C17H22N4O2 — CID 84595210

IUPAC(2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCn1cc(-c2cccc(CNC(=O)N3CCC[C@@H]3CO)c2)cn1
InChIInChI=1S/C17H22N4O2/c1-20-11-15(10-19-20)14-5-2-4-13(8-14)9-18-17(23)21-7-3-6-16(21)12-22/h2,4-5,8,10-11,16,22H,3,6-7,9,12H2,1H3,(H,18,23)/t16-/m1/s1
InChIKeyXBNYBEYMQNPFCA-MRXNPFEDSA-N
MW314.39 g/mol
LogP1.75
Rot. Bonds4

About (2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 84595210) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide
PubChem CID84595210
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide
SMILESCn1cc(-c2cccc(CNC(=O)N3CCC[C@@H]3CO)c2)cn1
InChIInChI=1S/C17H22N4O2/c1-20-11-15(10-19-20)14-5-2-4-13(8-14)9-18-17(23)21-7-3-6-16(21)12-22/h2,4-5,8,10-11,16,22H,3,6-7,9,12H2,1H3,(H,18,23)/t16-/m1/s1
InChIKeyXBNYBEYMQNPFCA-MRXNPFEDSA-N
XLogP1.75
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 71864264
2-(hydroxymethyl)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 75434309
3-ethyl-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]morpholine-4-carboxamide
CID 75435735
[(2R)-1-[[(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]carbamoylamino]-3-phenylpropan-2-yl]-dimethylazanium
CID 141643474
(3S*,4S*)-3-hydroxy-4-{methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}-N-(2-methylphenyl)-1-pyrrolidinecarboxamide
CID 25460541
(2R)-2-(hydroxymethyl)-N-[1-(3-pyrazol-1-ylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 71867507
N-[1-(1-benzylpyrazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 75390243
1-Benzyl-5-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol
CID 75471481
1-[(1S)-1-(3,5-dimethylphenyl)ethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 96483961
(2S,3R)-N-[(3-fluorophenyl)methyl]-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97411821
(2S,3R)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97470245
(2S,3S)-N-[(3-fluorophenyl)methyl]-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97470674

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide (CID 84595210) is (2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide is Cn1cc(-c2cccc(CNC(=O)N3CCC[C@@H]3CO)c2)cn1.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is XBNYBEYMQNPFCA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-11-15(10-19-20)14-5-2-4-13(8-14)9-18-17(23)21-7-3-6-16(21)12-22/h2,4-5,8,10-11,16,22H,3,6-7,9,12H2,1H3,(H,18,23)/t16-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 84595210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).