(2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide

C19H25N5O2 — CID 166248881

IUPAC(2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide
SMILESCN(C)CCn1cc(C(=O)N2[C@@H](C(N)=O)CC[C@@H]2c2ccccc2)cn1
InChIInChI=1S/C19H25N5O2/c1-22(2)10-11-23-13-15(12-21-23)19(26)24-16(8-9-17(24)18(20)25)14-6-4-3-5-7-14/h3-7,12-13,16-17H,8-11H2,1-2H3,(H2,20,25)/t16-,17-/m1/s1
InChIKeySYGNCPAMBLDPFJ-IAGOWNOFSA-N
MW355.44 g/mol
LogP1.28
Rot. Bonds6

About (2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide

(2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide (PubChem CID 166248881) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide
PubChem CID166248881
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide
SMILESCN(C)CCn1cc(C(=O)N2[C@@H](C(N)=O)CC[C@@H]2c2ccccc2)cn1
InChIInChI=1S/C19H25N5O2/c1-22(2)10-11-23-13-15(12-21-23)19(26)24-16(8-9-17(24)18(20)25)14-6-4-3-5-7-14/h3-7,12-13,16-17H,8-11H2,1-2H3,(H2,20,25)/t16-,17-/m1/s1
InChIKeySYGNCPAMBLDPFJ-IAGOWNOFSA-N
XLogP1.28
TPSA84.46 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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide (CID 166248881) is (2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide is CN(C)CCn1cc(C(=O)N2[C@@H](C(N)=O)CC[C@@H]2c2ccccc2)cn1.
What is the InChIKey of (2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide?
The InChIKey is SYGNCPAMBLDPFJ-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22(2)10-11-23-13-15(12-21-23)19(26)24-16(8-9-17(24)18(20)25)14-6-4-3-5-7-14/h3-7,12-13,16-17H,8-11H2,1-2H3,(H2,20,25)/t16-,17-/m1/s1.
What are the key properties of (2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide?
(2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[1-[2-(dimethylamino)ethyl]pyrazole-4-carbonyl]-5-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 166248881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).