N-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

C16H19FN4O2 — CID 167875878

IUPACN-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1(O)CCN(Cc2cccc(F)c2)C1)c1ccn[nH]1
InChIInChI=1S/C16H19FN4O2/c17-13-3-1-2-12(8-13)9-21-7-5-16(23,11-21)10-18-15(22)14-4-6-19-20-14/h1-4,6,8,23H,5,7,9-11H2,(H,18,22)(H,19,20)
InChIKeyUOHDCLWGNPAWQM-UHFFFAOYSA-N
MW318.35 g/mol
LogP0.92
Rot. Bonds5

About N-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide

N-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 167875878) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID167875878
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC1(O)CCN(Cc2cccc(F)c2)C1)c1ccn[nH]1
InChIInChI=1S/C16H19FN4O2/c17-13-3-1-2-12(8-13)9-21-7-5-16(23,11-21)10-18-15(22)14-4-6-19-20-14/h1-4,6,8,23H,5,7,9-11H2,(H,18,22)(H,19,20)
InChIKeyUOHDCLWGNPAWQM-UHFFFAOYSA-N
XLogP0.92
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-hydroxyazetidine-3-carboxylic acid
CID 91012833
1-[2-(3-fluorophenyl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
CID 95471751
1-[(3-fluorophenyl)methyl]-3-propylpiperidine-3-carboxylic acid
CID 63140936
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine;oxalic acid
CID 163326429
2-[(3-fluorophenyl)methyl]-11-(1H-pyrazol-5-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131647798
1-[(3-fluorophenyl)methyl]-N-methyl-3-[(3-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110229581
3-(3-fluorophenyl)-N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 110124398
1-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 828709
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170
N-benzyl-1'-[(3-fluorophenyl)methyl]-7-methylspiro[5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazine-6,3'-pyrrolidine]-3-carboxamide;2,2,2-trifluoroacetic acid
CID 171692881
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide (CID 167875878) is N-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide is O=C(NCC1(O)CCN(Cc2cccc(F)c2)C1)c1ccn[nH]1.
What is the InChIKey of N-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UOHDCLWGNPAWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-13-3-1-2-12(8-13)9-21-7-5-16(23,11-21)10-18-15(22)14-4-6-19-20-14/h1-4,6,8,23H,5,7,9-11H2,(H,18,22)(H,19,20).
What are the key properties of N-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide?
N-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-fluorophenyl)methyl]-3-hydroxypyrrolidin-3-yl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167875878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).