(2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide

C17H21N5O3 — CID 56710407

IUPAC(2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cnn(-c2ccccc2OC)c1
InChIInChI=1S/C17H21N5O3/c1-19-16(23)14-7-12(18)10-21(14)17(24)11-8-20-22(9-11)13-5-3-4-6-15(13)25-2/h3-6,8-9,12,14H,7,10,18H2,1-2H3,(H,19,23)/t12-,14+/m1/s1
InChIKeyXXYWWSPTNQLMJB-OCCSQVGLSA-N
MW343.39 g/mol
LogP0.17
Rot. Bonds4

About (2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 56710407) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID56710407
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name(2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cnn(-c2ccccc2OC)c1
InChIInChI=1S/C17H21N5O3/c1-19-16(23)14-7-12(18)10-21(14)17(24)11-8-20-22(9-11)13-5-3-4-6-15(13)25-2/h3-6,8-9,12,14H,7,10,18H2,1-2H3,(H,19,23)/t12-,14+/m1/s1
InChIKeyXXYWWSPTNQLMJB-OCCSQVGLSA-N
XLogP0.17
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide (CID 56710407) is (2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1C(=O)c1cnn(-c2ccccc2OC)c1.
What is the InChIKey of (2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is XXYWWSPTNQLMJB-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-19-16(23)14-7-12(18)10-21(14)17(24)11-8-20-22(9-11)13-5-3-4-6-15(13)25-2/h3-6,8-9,12,14H,7,10,18H2,1-2H3,(H,19,23)/t12-,14+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56710407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).