(3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine

C15H19N3O — CID 97325385

IUPAC(3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine
SMILESCc1cnn(Cc2ccc(N[C@H]3CCOC3)cc2)c1
InChIInChI=1S/C15H19N3O/c1-12-8-16-18(9-12)10-13-2-4-14(5-3-13)17-15-6-7-19-11-15/h2-5,8-9,15,17H,6-7,10-11H2,1H3/t15-/m0/s1
InChIKeyHINLIBPSMBFHFW-HNNXBMFYSA-N
MW257.34 g/mol
LogP2.44
Rot. Bonds4

About (3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine

(3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine (PubChem CID 97325385) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine
PubChem CID97325385
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine
SMILESCc1cnn(Cc2ccc(N[C@H]3CCOC3)cc2)c1
InChIInChI=1S/C15H19N3O/c1-12-8-16-18(9-12)10-13-2-4-14(5-3-13)17-15-6-7-19-11-15/h2-5,8-9,15,17H,6-7,10-11H2,1H3/t15-/m0/s1
InChIKeyHINLIBPSMBFHFW-HNNXBMFYSA-N
XLogP2.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-N-(oxan-4-yl)pyrazol-4-amine
CID 141333156
1-(2-methylpropyl)-N-(oxolan-3-yl)pyrazol-4-amine
CID 115777715
N-(4-propylphenyl)oxolan-3-amine
CID 63331785
N-[4-(methylsulfanylmethyl)phenyl]oxolan-3-amine
CID 115744184
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
N-[4-(pyrazol-1-ylmethyl)phenyl]oxepan-4-amine
CID 65081807
N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide
CID 63335569
4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
CID 134423680
2-chloro-5-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 60872723
N-[(1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 63335876
2-bromo-5-[(4-methylpyrazol-1-yl)methyl]aniline
CID 115557328
1-(2-hydroxyethyl)-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 111111772

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine (CID 97325385) is (3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine is Cc1cnn(Cc2ccc(N[C@H]3CCOC3)cc2)c1.
What is the InChIKey of (3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine?
The InChIKey is HINLIBPSMBFHFW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-8-16-18(9-12)10-13-2-4-14(5-3-13)17-15-6-7-19-11-15/h2-5,8-9,15,17H,6-7,10-11H2,1H3/t15-/m0/s1.
What are the key properties of (3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine?
(3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]oxolan-3-amine is sourced from PubChem (CID 97325385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).