(3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol

C14H25N3O2 — CID 91794079

IUPAC(3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCCCn1ncc(CN2C[C@H](OCC)[C@@H](O)C2)c1C
InChIInChI=1S/C14H25N3O2/c1-4-6-17-11(3)12(7-15-17)8-16-9-13(18)14(10-16)19-5-2/h7,13-14,18H,4-6,8-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyDHUPGVMACKYZFN-KBPBESRZSA-N
MW267.37 g/mol
LogP1.18
Rot. Bonds6

About (3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol

(3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 91794079) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is (3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID91794079
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name(3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCCCn1ncc(CN2C[C@H](OCC)[C@@H](O)C2)c1C
InChIInChI=1S/C14H25N3O2/c1-4-6-17-11(3)12(7-15-17)8-16-9-13(18)14(10-16)19-5-2/h7,13-14,18H,4-6,8-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyDHUPGVMACKYZFN-KBPBESRZSA-N
XLogP1.18
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol (CID 91794079) is (3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol is CCCn1ncc(CN2C[C@H](OCC)[C@@H](O)C2)c1C.
What is the InChIKey of (3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is DHUPGVMACKYZFN-KBPBESRZSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-6-17-11(3)12(7-15-17)8-16-9-13(18)14(10-16)19-5-2/h7,13-14,18H,4-6,8-10H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol?
(3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 267.37 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-ethoxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 91794079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).