(3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol

C14H18N4O — CID 126678711

IUPAC(3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol
SMILESN[C@H]1CN(c2ccn(Cc3ccccc3)n2)C[C@H]1O
InChIInChI=1S/C14H18N4O/c15-12-9-17(10-13(12)19)14-6-7-18(16-14)8-11-4-2-1-3-5-11/h1-7,12-13,19H,8-10,15H2/t12-,13+/m0/s1
InChIKeyKJRUTHCSBKOWQG-QWHCGFSZSA-N
MW258.32 g/mol
LogP0.44
Rot. Bonds3

About (3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol

(3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol (PubChem CID 126678711) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol
PubChem CID126678711
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol
SMILESN[C@H]1CN(c2ccn(Cc3ccccc3)n2)C[C@H]1O
InChIInChI=1S/C14H18N4O/c15-12-9-17(10-13(12)19)14-6-7-18(16-14)8-11-4-2-1-3-5-11/h1-7,12-13,19H,8-10,15H2/t12-,13+/m0/s1
InChIKeyKJRUTHCSBKOWQG-QWHCGFSZSA-N
XLogP0.44
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-3-(2,5-dihydropyrrol-1-yl)pyrazole
CID 126655401
tert-butyl N-[(4R)-1-(1-benzylpyrazol-3-yl)-4-hydroxypyrrolidin-3-yl]carbamate
CID 126672095
4-(1-benzylpyrazol-3-yl)morpholine
CID 126655269
(3S,4R)-1-(1-benzylpyrazol-3-yl)-3,4-dimethoxypiperidine
CID 126655537
ethane;methyl 1-(1-benzylpyrazol-3-yl)pyrrolidine-3-carboxylate
CID 145270847
6-(1-benzylpyrazol-3-yl)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 145270813
(3S)-1-(1-benzylpyrazol-3-yl)-2,2,4,4,5,5,6,6-octadeuterio-3-methylpiperidin-3-ol
CID 126655637
1-(1-benzylpyrazol-3-yl)-1,4-diazepan-5-one
CID 126655465
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
1-benzyl-3-bromopyrazole
CID 97053225
6-amino-1-benzylazepan-3-ol
CID 83486567

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol (CID 126678711) is (3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol is N[C@H]1CN(c2ccn(Cc3ccccc3)n2)C[C@H]1O.
What is the InChIKey of (3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol?
The InChIKey is KJRUTHCSBKOWQG-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18N4O/c15-12-9-17(10-13(12)19)14-6-7-18(16-14)8-11-4-2-1-3-5-11/h1-7,12-13,19H,8-10,15H2/t12-,13+/m0/s1.
What are the key properties of (3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol?
(3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol has a molecular weight of 258.32 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-1-(1-benzylpyrazol-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 126678711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).