5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide

C19H25N5O4 — CID 174885374

IUPAC5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCOc1cc(CC(=O)Cc2nn([C@H]3CCNC3)c(N)c2C(N)=O)cc(OC)c1
InChIInChI=1S/C19H25N5O4/c1-27-14-6-11(7-15(9-14)28-2)5-13(25)8-16-17(19(21)26)18(20)24(23-16)12-3-4-22-10-12/h6-7,9,12,22H,3-5,8,10,20H2,1-2H3,(H2,21,26)/t12-/m0/s1
InChIKeyJACVFUHVJWSREU-LBPRGKRZSA-N
MW387.44 g/mol
LogP0.47
Rot. Bonds8

About 5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide

5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide (PubChem CID 174885374) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
PubChem CID174885374
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
SMILESCOc1cc(CC(=O)Cc2nn([C@H]3CCNC3)c(N)c2C(N)=O)cc(OC)c1
InChIInChI=1S/C19H25N5O4/c1-27-14-6-11(7-15(9-14)28-2)5-13(25)8-16-17(19(21)26)18(20)24(23-16)12-3-4-22-10-12/h6-7,9,12,22H,3-5,8,10,20H2,1-2H3,(H2,21,26)/t12-/m0/s1
InChIKeyJACVFUHVJWSREU-LBPRGKRZSA-N
XLogP0.47
TPSA134.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide (CID 174885374) is 5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide is COc1cc(CC(=O)Cc2nn([C@H]3CCNC3)c(N)c2C(N)=O)cc(OC)c1.
What is the InChIKey of 5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is JACVFUHVJWSREU-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-27-14-6-11(7-15(9-14)28-2)5-13(25)8-16-17(19(21)26)18(20)24(23-16)12-3-4-22-10-12/h6-7,9,12,22H,3-5,8,10,20H2,1-2H3,(H2,21,26)/t12-/m0/s1.
What are the key properties of 5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide?
5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 0.47, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[3-(3,5-dimethoxyphenyl)-2-oxopropyl]-1-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 174885374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).