(3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol

C14H26N4O — CID 95895160

IUPAC(3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol
SMILESCCn1nc(C)c(CCNC[C@@]2(O)CCNC2)c1C
InChIInChI=1S/C14H26N4O/c1-4-18-12(3)13(11(2)17-18)5-7-15-9-14(19)6-8-16-10-14/h15-16,19H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyGGZMTXACGQHQDW-AWEZNQCLSA-N
MW266.39 g/mol
LogP0.38
Rot. Bonds6

About (3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol

(3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol (PubChem CID 95895160) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is (3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol
PubChem CID95895160
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name(3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol
SMILESCCn1nc(C)c(CCNC[C@@]2(O)CCNC2)c1C
InChIInChI=1S/C14H26N4O/c1-4-18-12(3)13(11(2)17-18)5-7-15-9-14(19)6-8-16-10-14/h15-16,19H,4-10H2,1-3H3/t14-/m0/s1
InChIKeyGGZMTXACGQHQDW-AWEZNQCLSA-N
XLogP0.38
TPSA62.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol (CID 95895160) is (3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol is CCn1nc(C)c(CCNC[C@@]2(O)CCNC2)c1C.
What is the InChIKey of (3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol?
The InChIKey is GGZMTXACGQHQDW-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-18-12(3)13(11(2)17-18)5-7-15-9-14(19)6-8-16-10-14/h15-16,19H,4-10H2,1-3H3/t14-/m0/s1.
What are the key properties of (3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol?
(3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol has a molecular weight of 266.39 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylamino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 95895160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).