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

C15H20N4O — CID 97384267

IUPAC(2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESCn1cc(CN2CC[C@H](O)[C@@H]2Cc2ccncc2)cn1
InChIInChI=1S/C15H20N4O/c1-18-10-13(9-17-18)11-19-7-4-15(20)14(19)8-12-2-5-16-6-3-12/h2-3,5-6,9-10,14-15,20H,4,7-8,11H2,1H3/t14-,15-/m0/s1
InChIKeyIGFZRJLOXZCYBN-GJZGRUSLSA-N
MW272.35 g/mol
LogP0.99
Rot. Bonds4

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

(2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 97384267) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID97384267
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
SMILESCn1cc(CN2CC[C@H](O)[C@@H]2Cc2ccncc2)cn1
InChIInChI=1S/C15H20N4O/c1-18-10-13(9-17-18)11-19-7-4-15(20)14(19)8-12-2-5-16-6-3-12/h2-3,5-6,9-10,14-15,20H,4,7-8,11H2,1H3/t14-,15-/m0/s1
InChIKeyIGFZRJLOXZCYBN-GJZGRUSLSA-N
XLogP0.99
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol
CID 12960088
(2R,3R,4S)-2-(hydroxymethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-3,4-diol
CID 44568548
2-[[3-(1H-pyrazol-1-yl)benzyl](pyridin-2-ylmethyl)amino]butan-1-ol
CID 46989417
1-[[(1-Methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 52868619
N-[(1-methylpyrazol-4-yl)methyl]-N-[[(2R,5S)-5-[(6-methyl-3-pyridinyl)methyl]oxolan-2-yl]methyl]ethanamine
CID 56894626
(2R)-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 76331660
(3S,7R,8aS)-3-benzyl-2-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 92595563
(3R,7R,8aS)-3-benzyl-2-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 92595565
(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97384238
(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 97384241
(2S,3S)-1-(cyclopropylmethyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 97384274
(4R,4aS,7aS)-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97420799

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol (CID 97384267) is (2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol is Cn1cc(CN2CC[C@H](O)[C@@H]2Cc2ccncc2)cn1.
What is the InChIKey of (2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is IGFZRJLOXZCYBN-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18-10-13(9-17-18)11-19-7-4-15(20)14(19)8-12-2-5-16-6-3-12/h2-3,5-6,9-10,14-15,20H,4,7-8,11H2,1H3/t14-,15-/m0/s1.
What are the key properties of (2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol?
(2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 272.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 97384267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).