[4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C25H33N5O2 — CID 59264675

IUPAC[4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC2)cnn1-c1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1
InChIInChI=1S/C25H33N5O2/c1-19-23(25(32)28-14-4-5-15-28)17-26-30(19)21-10-8-20(9-11-21)24(31)29-16-6-7-22(29)18-27-12-2-3-13-27/h8-11,17,22H,2-7,12-16,18H2,1H3/t22-/m0/s1
InChIKeyKPZLKPXINUEREB-QFIPXVFZSA-N
MW435.57 g/mol
LogP3.12
Rot. Bonds5

About [4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

[4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 59264675) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is [4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID59264675
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name[4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCCC2)cnn1-c1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1
InChIInChI=1S/C25H33N5O2/c1-19-23(25(32)28-14-4-5-15-28)17-26-30(19)21-10-8-20(9-11-21)24(31)29-16-6-7-22(29)18-27-12-2-3-13-27/h8-11,17,22H,2-7,12-16,18H2,1H3/t22-/m0/s1
InChIKeyKPZLKPXINUEREB-QFIPXVFZSA-N
XLogP3.12
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 126776183
cyclopropyl-[4-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]methanone
CID 11965206
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11965129
(4-methoxyphenyl)-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11529384
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[2-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 126783721
[4-(6-methyl-3-pyridinyl)phenyl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 121495554
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone;hydrochloride
CID 119650990
5-methyl-1-[4-[2-(methylcarbamoyl)pyrrolidine-1-carbonyl]phenyl]pyrazole-4-carboxylic acid
CID 119182697
1-[4-[(3R)-3-ethoxypiperidine-1-carbonyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 124683333
[4-(diethylamino)phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 15950727
[4-[4-(4-chlorophenyl)pyrazol-1-yl]phenyl]-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 11690629
5-methyl-1-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylic acid
CID 131963294

Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 59264675) is [4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is Cc1c(C(=O)N2CCCC2)cnn1-c1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1.
What is the InChIKey of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is KPZLKPXINUEREB-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-19-23(25(32)28-14-4-5-15-28)17-26-30(19)21-10-8-20(9-11-21)24(31)29-16-6-7-22(29)18-27-12-2-3-13-27/h8-11,17,22H,2-7,12-16,18H2,1H3/t22-/m0/s1.
What are the key properties of [4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
[4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 435.57 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-1-yl]phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 59264675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).