(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

C15H24N6O — CID 129486181

IUPAC(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESCCn1nccc1CN1CC[C@](O)(c2cn(C(C)C)nn2)C1
InChIInChI=1S/C15H24N6O/c1-4-20-13(5-7-16-20)9-19-8-6-15(22,11-19)14-10-21(12(2)3)18-17-14/h5,7,10,12,22H,4,6,8-9,11H2,1-3H3/t15-/m1/s1
InChIKeyWRIQFFMUXABLFG-OAHLLOKOSA-N
MW304.40 g/mol
LogP1.17
Rot. Bonds5

About (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (PubChem CID 129486181) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
PubChem CID129486181
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESCCn1nccc1CN1CC[C@](O)(c2cn(C(C)C)nn2)C1
InChIInChI=1S/C15H24N6O/c1-4-20-13(5-7-16-20)9-19-8-6-15(22,11-19)14-10-21(12(2)3)18-17-14/h5,7,10,12,22H,4,6,8-9,11H2,1-3H3/t15-/m1/s1
InChIKeyWRIQFFMUXABLFG-OAHLLOKOSA-N
XLogP1.17
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (CID 129486181) is (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is CCn1nccc1CN1CC[C@](O)(c2cn(C(C)C)nn2)C1.
What is the InChIKey of (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The InChIKey is WRIQFFMUXABLFG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H24N6O/c1-4-20-13(5-7-16-20)9-19-8-6-15(22,11-19)14-10-21(12(2)3)18-17-14/h5,7,10,12,22H,4,6,8-9,11H2,1-3H3/t15-/m1/s1.
What are the key properties of (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol has a molecular weight of 304.40 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129486181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).