(2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine

C19H23N5O — CID 128976639

IUPAC(2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
SMILESCc1c(CN[C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2)cnn1C
InChIInChI=1S/C19H23N5O/c1-14-15(13-22-23(14)2)12-20-17-9-11-25-19(17)18-8-10-21-24(18)16-6-4-3-5-7-16/h3-8,10,13,17,19-20H,9,11-12H2,1-2H3/t17-,19-/m0/s1
InChIKeyGDZZSQSUNBESBW-HKUYNNGSSA-N
MW337.43 g/mol
LogP2.53
Rot. Bonds5

About (2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine

(2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine (PubChem CID 128976639) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
PubChem CID128976639
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
SMILESCc1c(CN[C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2)cnn1C
InChIInChI=1S/C19H23N5O/c1-14-15(13-22-23(14)2)12-20-17-9-11-25-19(17)18-8-10-21-24(18)16-6-4-3-5-7-16/h3-8,10,13,17,19-20H,9,11-12H2,1-2H3/t17-,19-/m0/s1
InChIKeyGDZZSQSUNBESBW-HKUYNNGSSA-N
XLogP2.53
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-N-[[2-(methylamino)phenyl]methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
CID 136588315
(2S,3S)-N-(1H-imidazol-2-ylmethyl)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
CID 128976520
1-methyl-4-[[[(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]amino]methyl]pyrrole-2-carbonitrile
CID 128976618
2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine
CID 126834756
(2S,3S)-2-(2-phenylpyrazol-3-yl)oxolan-3-amine
CID 119056813
(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 129005127
4-[[[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 129005082
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylcyclohexan-1-amine
CID 79578616
(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
CID 128976560
(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine
CID 129005026
4-[(1,5-dimethylpyrazol-4-yl)methylamino]cyclohexan-1-ol
CID 79579556
5-cyclopropyl-1-phenylpyrazole
CID 67206706

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine (CID 128976639) is (2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine is Cc1c(CN[C@H]2CCO[C@@H]2c2ccnn2-c2ccccc2)cnn1C.
What is the InChIKey of (2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine?
The InChIKey is GDZZSQSUNBESBW-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-15(13-22-23(14)2)12-20-17-9-11-25-19(17)18-8-10-21-24(18)16-6-4-3-5-7-16/h3-8,10,13,17,19-20H,9,11-12H2,1-2H3/t17-,19-/m0/s1.
What are the key properties of (2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine?
(2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine has a molecular weight of 337.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-phenylpyrazol-3-yl)oxolan-3-amine is sourced from PubChem (CID 128976639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).