(3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol

C14H21N5O — CID 161127599

IUPAC(3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol
SMILESCC(C)(C)Cc1nc2c(c(N3CC[C@H](O)C3)n1)N=NC2
InChIInChI=1S/C14H21N5O/c1-14(2,3)6-11-16-10-7-15-18-12(10)13(17-11)19-5-4-9(20)8-19/h9,20H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyULTLQPVJYGIFSH-VIFPVBQESA-N
MW275.36 g/mol
LogP2.23
Rot. Bonds2

About (3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol

(3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol (PubChem CID 161127599) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol
PubChem CID161127599
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol
SMILESCC(C)(C)Cc1nc2c(c(N3CC[C@H](O)C3)n1)N=NC2
InChIInChI=1S/C14H21N5O/c1-14(2,3)6-11-16-10-7-15-18-12(10)13(17-11)19-5-4-9(20)8-19/h9,20H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyULTLQPVJYGIFSH-VIFPVBQESA-N
XLogP2.23
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 81006896
1-(2-tert-butyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129170820
1-[3-(aminomethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]pyrrolidin-3-ol
CID 62916668
1-[5,6-diamino-2-(tert-butylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 123475270
1-[6-tert-butyl-1-[1-(2H-tetrazol-5-yl)ethyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 118599322
1-(6-amino-2,5-dimethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80823336
(3S)-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-ol
CID 103718731
(3R)-1-(4,6-dimethoxy-1,3,5-triazin-2-yl)pyrrolidin-3-ol
CID 103696650
1-(1-ethylindazol-5-yl)pyrrolidin-3-ol
CID 175779535
(3S)-1-[2-tert-butyl-7-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 86305337
(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol
CID 71649300
(3S)-1-[6-tert-butyl-1-[(2-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
CID 85469533

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol (CID 161127599) is (3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol is CC(C)(C)Cc1nc2c(c(N3CC[C@H](O)C3)n1)N=NC2.
What is the InChIKey of (3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol?
The InChIKey is ULTLQPVJYGIFSH-VIFPVBQESA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,3)6-11-16-10-7-15-18-12(10)13(17-11)19-5-4-9(20)8-19/h9,20H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol?
(3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol has a molecular weight of 275.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[5-(2,2-dimethylpropyl)-3H-pyrazolo[4,3-d]pyrimidin-7-yl]pyrrolidin-3-ol is sourced from PubChem (CID 161127599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).