(2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

C20H24N6O2 — CID 125442613

IUPAC(2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2CNC(=O)N2CCC[C@@H]2Cn2cccn2)cc1
InChIInChI=1S/C20H24N6O2/c1-28-18-7-5-15(6-8-18)19-16(13-22-24-19)12-21-20(27)26-11-2-4-17(26)14-25-10-3-9-23-25/h3,5-10,13,17H,2,4,11-12,14H2,1H3,(H,21,27)(H,22,24)/t17-/m1/s1
InChIKeyJKJDRRSVHGSPIA-QGZVFWFLSA-N
MW380.45 g/mol
LogP2.66
Rot. Bonds6

About (2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide

(2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 125442613) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID125442613
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name(2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2CNC(=O)N2CCC[C@@H]2Cn2cccn2)cc1
InChIInChI=1S/C20H24N6O2/c1-28-18-7-5-15(6-8-18)19-16(13-22-24-19)12-21-20(27)26-11-2-4-17(26)14-25-10-3-9-23-25/h3,5-10,13,17H,2,4,11-12,14H2,1H3,(H,21,27)(H,22,24)/t17-/m1/s1
InChIKeyJKJDRRSVHGSPIA-QGZVFWFLSA-N
XLogP2.66
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122560013
(2R)-N-[(2,4-dichlorophenyl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126429505
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 17446645
(2S)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 126434676
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
4-(4-methoxyphenyl)-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 95346962
2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95323554
N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118793180
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 121499385
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 118795212
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide (CID 125442613) is (2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is COc1ccc(-c2[nH]ncc2CNC(=O)N2CCC[C@@H]2Cn2cccn2)cc1.
What is the InChIKey of (2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is JKJDRRSVHGSPIA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-28-18-7-5-15(6-8-18)19-16(13-22-24-19)12-21-20(27)26-11-2-4-17(26)14-25-10-3-9-23-25/h3,5-10,13,17H,2,4,11-12,14H2,1H3,(H,21,27)(H,22,24)/t17-/m1/s1.
What are the key properties of (2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide?
(2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 125442613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).