(2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol

C13H21N3O — CID 97384246

IUPAC(2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCn1cc(C[C@H]2[C@H](O)CCN2CC2CC2)cn1
InChIInChI=1S/C13H21N3O/c1-15-8-11(7-14-15)6-12-13(17)4-5-16(12)9-10-2-3-10/h7-8,10,12-13,17H,2-6,9H2,1H3/t12-,13+/m0/s1
InChIKeyAIIDTYQTBLQQMU-QWHCGFSZSA-N
MW235.33 g/mol
LogP0.81
Rot. Bonds4

About (2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol

(2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 97384246) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID97384246
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCn1cc(C[C@H]2[C@H](O)CCN2CC2CC2)cn1
InChIInChI=1S/C13H21N3O/c1-15-8-11(7-14-15)6-12-13(17)4-5-16(12)9-10-2-3-10/h7-8,10,12-13,17H,2-6,9H2,1H3/t12-,13+/m0/s1
InChIKeyAIIDTYQTBLQQMU-QWHCGFSZSA-N
XLogP0.81
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol (CID 97384246) is (2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is Cn1cc(C[C@H]2[C@H](O)CCN2CC2CC2)cn1.
What is the InChIKey of (2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is AIIDTYQTBLQQMU-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15-8-11(7-14-15)6-12-13(17)4-5-16(12)9-10-2-3-10/h7-8,10,12-13,17H,2-6,9H2,1H3/t12-,13+/m0/s1.
What are the key properties of (2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
(2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 97384246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).