(3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

C19H21FN6 — CID 42196033

IUPAC(3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESFc1ccc(-n2cccn2)c(CN[C@@H]2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C19H21FN6/c20-16-5-6-18(26-11-3-9-24-26)15(12-16)13-23-17-4-1-10-25(14-17)19-21-7-2-8-22-19/h2-3,5-9,11-12,17,23H,1,4,10,13-14H2/t17-/m1/s1
InChIKeyWQRNYJFFXIWWLD-QGZVFWFLSA-N
MW352.42 g/mol
LogP2.56
Rot. Bonds5

About (3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine

(3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (PubChem CID 42196033) has the molecular formula C19H21FN6 and a molecular weight of 352.42 g/mol. Its IUPAC name is (3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
PubChem CID42196033
Molecular FormulaC19H21FN6
Molecular Weight352.42 g/mol
Exact Mass352.18
IUPAC Name(3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
SMILESFc1ccc(-n2cccn2)c(CN[C@@H]2CCCN(c3ncccn3)C2)c1
InChIInChI=1S/C19H21FN6/c20-16-5-6-18(26-11-3-9-24-26)15(12-16)13-23-17-4-1-10-25(14-17)19-21-7-2-8-22-19/h2-3,5-9,11-12,17,23H,1,4,10,13-14H2/t17-/m1/s1
InChIKeyWQRNYJFFXIWWLD-QGZVFWFLSA-N
XLogP2.56
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine with MolForge

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Related Compounds

(3S)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-amine
CID 28730958
N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 45191874
N-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 45230292
N-[(2,3-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045756
N-[(2,5-dimethoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 47045757
1-(5-fluoro-2-pyrazol-1-ylphenyl)-N-methylmethanamine
CID 43314016
(4R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42292954
N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
CID 61168084
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 43314015
(3S)-N-[(4-ethynylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 42381958
(3R)-N-[(5-chlorofuran-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 93318901
1-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]azepan-4-amine
CID 65070198

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine (CID 42196033) is (3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is Fc1ccc(-n2cccn2)c(CN[C@@H]2CCCN(c3ncccn3)C2)c1.
What is the InChIKey of (3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
The InChIKey is WQRNYJFFXIWWLD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21FN6/c20-16-5-6-18(26-11-3-9-24-26)15(12-16)13-23-17-4-1-10-25(14-17)19-21-7-2-8-22-19/h2-3,5-9,11-12,17,23H,1,4,10,13-14H2/t17-/m1/s1.
What are the key properties of (3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine?
(3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine has a molecular weight of 352.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine is sourced from PubChem (CID 42196033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).