3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol

C18H22ClN3O2 — CID 136588317

IUPAC3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol
SMILESOc1cc(Cl)cc(CN[C@@H]2CCO[C@H]2c2cnn(CC3CC3)c2)c1
InChIInChI=1S/C18H22ClN3O2/c19-15-5-13(6-16(23)7-15)8-20-17-3-4-24-18(17)14-9-21-22(11-14)10-12-1-2-12/h5-7,9,11-12,17-18,20,23H,1-4,8,10H2/t17-,18+/m1/s1
InChIKeyIDXKZAOXUUEFRW-MSOLQXFVSA-N
MW347.85 g/mol
LogP3.27
Rot. Bonds6

About 3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol

3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol (PubChem CID 136588317) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol.

Molecular Properties

Compound Name3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol
PubChem CID136588317
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol
SMILESOc1cc(Cl)cc(CN[C@@H]2CCO[C@H]2c2cnn(CC3CC3)c2)c1
InChIInChI=1S/C18H22ClN3O2/c19-15-5-13(6-16(23)7-15)8-20-17-3-4-24-18(17)14-9-21-22(11-14)10-12-1-2-12/h5-7,9,11-12,17-18,20,23H,1-4,8,10H2/t17-,18+/m1/s1
InChIKeyIDXKZAOXUUEFRW-MSOLQXFVSA-N
XLogP3.27
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol with MolForge

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Related Compounds

(2S,3S)-2-(3,4-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]oxolan-3-amine
CID 97336721
2-(3,4-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]oxolan-3-amine
CID 75445170
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130
6-[[(2R,3S)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]-2-methylpyridine-3-carbonitrile
CID 154761391
N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 65460455
(2R,3S)-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)oxan-3-amine
CID 129370432
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]oxan-3-amine
CID 129342159
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
2,6-dichloro-4-[1-(cyclopropylmethyl)pyrazol-4-yl]pyridine
CID 163201424
(2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine
CID 167823864
2-cyclopropyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]ethanesulfonamide
CID 136581043

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol?
The IUPAC name of 3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol (CID 136588317) is 3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol.
What is the SMILES notation for 3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol?
The canonical SMILES for 3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol is Oc1cc(Cl)cc(CN[C@@H]2CCO[C@H]2c2cnn(CC3CC3)c2)c1.
What is the InChIKey of 3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol?
The InChIKey is IDXKZAOXUUEFRW-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c19-15-5-13(6-16(23)7-15)8-20-17-3-4-24-18(17)14-9-21-22(11-14)10-12-1-2-12/h5-7,9,11-12,17-18,20,23H,1-4,8,10H2/t17-,18+/m1/s1.
What are the key properties of 3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol?
3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol has a molecular weight of 347.85 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[[[(2S,3R)-2-[1-(cyclopropylmethyl)pyrazol-4-yl]oxolan-3-yl]amino]methyl]phenol is sourced from PubChem (CID 136588317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).