3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

C15H21N5O4 — CID 99972911

IUPAC3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN2CCn3nc([C@H](O)CO)cc3C2)c(=O)[nH]1
InChIInChI=1S/C15H21N5O4/c1-10-6-14(23)19(15(24)16-10)4-2-18-3-5-20-11(8-18)7-12(17-20)13(22)9-21/h6-7,13,21-22H,2-5,8-9H2,1H3,(H,16,24)/t13-/m1/s1
InChIKeyXAJXZAFMKSFLEA-CYBMUJFWSA-N
MW335.36 g/mol
LogP-1.42
Rot. Bonds5

About 3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione

3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 99972911) has the molecular formula C15H21N5O4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID99972911
Molecular FormulaC15H21N5O4
Molecular Weight335.36 g/mol
Exact Mass335.16
IUPAC Name3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(CCN2CCn3nc([C@H](O)CO)cc3C2)c(=O)[nH]1
InChIInChI=1S/C15H21N5O4/c1-10-6-14(23)19(15(24)16-10)4-2-18-3-5-20-11(8-18)7-12(17-20)13(22)9-21/h6-7,13,21-22H,2-5,8-9H2,1H3,(H,16,24)/t13-/m1/s1
InChIKeyXAJXZAFMKSFLEA-CYBMUJFWSA-N
XLogP-1.42
TPSA116.38 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 5-1.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-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 3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 99972911) is 3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(CCN2CCn3nc([C@H](O)CO)cc3C2)c(=O)[nH]1.
What is the InChIKey of 3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is XAJXZAFMKSFLEA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N5O4/c1-10-6-14(23)19(15(24)16-10)4-2-18-3-5-20-11(8-18)7-12(17-20)13(22)9-21/h6-7,13,21-22H,2-5,8-9H2,1H3,(H,16,24)/t13-/m1/s1.
What are the key properties of 3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione?
3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 335.36 g/mol, XLogP of -1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[(1S)-1,2-dihydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 99972911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).