1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide

C19H25N5O2 — CID 50979526

IUPAC1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)n(C)n1
InChIInChI=1S/C19H25N5O2/c1-13(2)16-10-17(23(3)22-16)19(26)24(11-14-6-8-20-9-7-14)12-15-4-5-18(25)21-15/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyQLUJAGWBQQGCRB-HNNXBMFYSA-N
MW355.44 g/mol
LogP1.86
Rot. Bonds6

About 1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide

1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide (PubChem CID 50979526) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
PubChem CID50979526
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)n(C)n1
InChIInChI=1S/C19H25N5O2/c1-13(2)16-10-17(23(3)22-16)19(26)24(11-14-6-8-20-9-7-14)12-15-4-5-18(25)21-15/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,21,25)/t15-/m0/s1
InChIKeyQLUJAGWBQQGCRB-HNNXBMFYSA-N
XLogP1.86
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide (CID 50979526) is 1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide is CC(C)c1cc(C(=O)N(Cc2ccncc2)C[C@@H]2CCC(=O)N2)n(C)n1.
What is the InChIKey of 1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is QLUJAGWBQQGCRB-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-13(2)16-10-17(23(3)22-16)19(26)24(11-14-6-8-20-9-7-14)12-15-4-5-18(25)21-15/h6-10,13,15H,4-5,11-12H2,1-3H3,(H,21,25)/t15-/m0/s1.
What are the key properties of 1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 50979526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).