1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol

C20H27FN4O — CID 70755003

IUPAC1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESOC1(CN2CCCC2)CCCN(Cc2cnn(-c3cccc(F)c3)c2)C1
InChIInChI=1S/C20H27FN4O/c21-18-5-3-6-19(11-18)25-14-17(12-22-25)13-24-10-4-7-20(26,16-24)15-23-8-1-2-9-23/h3,5-6,11-12,14,26H,1-2,4,7-10,13,15-16H2
InChIKeyYUSVHBSLYIZSHK-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.43
Rot. Bonds5

About 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol

1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol (PubChem CID 70755003) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
PubChem CID70755003
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
SMILESOC1(CN2CCCC2)CCCN(Cc2cnn(-c3cccc(F)c3)c2)C1
InChIInChI=1S/C20H27FN4O/c21-18-5-3-6-19(11-18)25-14-17(12-22-25)13-24-10-4-7-20(26,16-24)15-23-8-1-2-9-23/h3,5-6,11-12,14,26H,1-2,4,7-10,13,15-16H2
InChIKeyYUSVHBSLYIZSHK-UHFFFAOYSA-N
XLogP2.43
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-9-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-oxa-9-azaspiro[4.5]decane
CID 97210012
1'-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]
CID 138808933
7-(cyclopropylmethyl)-2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72891380
5,5-difluoro-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine-3-carboxylic acid
CID 166267907
(3aS,6aR)-2-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138806025
(2R)-4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 125442464
4-benzyl-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidine;hydrochloride
CID 110170320
N-[(3R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]pyrrolidin-3-yl]acetamide
CID 99954574
4-[[4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 77097298
2-[1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82282985
2-[(2R)-1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 99948448
(4S)-4-(methoxymethyl)-3,3-dimethyl-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
CID 72902481

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol (CID 70755003) is 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol is OC1(CN2CCCC2)CCCN(Cc2cnn(-c3cccc(F)c3)c2)C1.
What is the InChIKey of 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
The InChIKey is YUSVHBSLYIZSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c21-18-5-3-6-19(11-18)25-14-17(12-22-25)13-24-10-4-7-20(26,16-24)15-23-8-1-2-9-23/h3,5-6,11-12,14,26H,1-2,4,7-10,13,15-16H2.
What are the key properties of 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol?
1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol has a molecular weight of 358.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 70755003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).