1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione

C17H23N5O4 — CID 175656725

IUPAC1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1n[nH]c(C)c1CCC(=O)N1C[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1
InChIInChI=1S/C17H23N5O4/c1-9-6-22(17(26)18-16(9)25)13-7-21(8-14(13)23)15(24)5-4-12-10(2)19-20-11(12)3/h6,13-14,23H,4-5,7-8H2,1-3H3,(H,19,20)(H,18,25,26)/t13-,14-/m1/s1
InChIKeyBFWKEZBFBGEWLZ-ZIAGYGMSSA-N
MW361.40 g/mol
LogP-0.44
Rot. Bonds4

About 1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione

1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 175656725) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
PubChem CID175656725
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1n[nH]c(C)c1CCC(=O)N1C[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1
InChIInChI=1S/C17H23N5O4/c1-9-6-22(17(26)18-16(9)25)13-7-21(8-14(13)23)15(24)5-4-12-10(2)19-20-11(12)3/h6,13-14,23H,4-5,7-8H2,1-3H3,(H,19,20)(H,18,25,26)/t13-,14-/m1/s1
InChIKeyBFWKEZBFBGEWLZ-ZIAGYGMSSA-N
XLogP-0.44
TPSA124.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione (CID 175656725) is 1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione is Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H](O)[C@H](n2cc(C)c(=O)[nH]c2=O)C1.
What is the InChIKey of 1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is BFWKEZBFBGEWLZ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-9-6-22(17(26)18-16(9)25)13-7-21(8-14(13)23)15(24)5-4-12-10(2)19-20-11(12)3/h6,13-14,23H,4-5,7-8H2,1-3H3,(H,19,20)(H,18,25,26)/t13-,14-/m1/s1.
What are the key properties of 1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione?
1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 361.40 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 175656725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).