4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol

C16H14ClN5O — CID 155203648

IUPAC4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol
SMILESOc1ccc(-c2nc(Nc3cnn(C4CC4)c3)ncc2Cl)cc1
InChIInChI=1S/C16H14ClN5O/c17-14-8-18-16(20-11-7-19-22(9-11)12-3-4-12)21-15(14)10-1-5-13(23)6-2-10/h1-2,5-9,12,23H,3-4H2,(H,18,20,21)
InChIKeyYEHPBYLVJOLVHE-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.78
Rot. Bonds4

About 4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol

4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol (PubChem CID 155203648) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol
PubChem CID155203648
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol
SMILESOc1ccc(-c2nc(Nc3cnn(C4CC4)c3)ncc2Cl)cc1
InChIInChI=1S/C16H14ClN5O/c17-14-8-18-16(20-11-7-19-22(9-11)12-3-4-12)21-15(14)10-1-5-13(23)6-2-10/h1-2,5-9,12,23H,3-4H2,(H,18,20,21)
InChIKeyYEHPBYLVJOLVHE-UHFFFAOYSA-N
XLogP3.78
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-Amino-6-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]pyrimidin-4-yl]phenol
CID 136058433
4-amino-6-[[(1S)-1-[3-chloro-6-(4-hydroxyphenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 137135691
4-{3-[(4-Chlorophenyl)amino]imidazo[1,2-a]pyrimidin-2-yl}phenol
CID 3687610
3-chloro-5-[4-[2-(4-fluoroanilino)pyrimidin-4-yl]-1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]phenol
CID 71166906
2-[4-[[4-(3-Fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-piperidin-1-ylethanone
CID 136336357
2-[4-[[4-(3-Fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 136404143
2-Fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol
CID 136404144
N-ethyl-2-[4-[[4-(3-fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetamide
CID 136404149
2-[4-[[4-(3-Fluoro-4-hydroxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]butanamide
CID 137069274
4-[3-[(3-chloro-2-pyridinyl)amino]-1H-pyrazol-5-yl]-2-fluorophenol
CID 139405409
3-chloro-5-[4-[2-(4-fluoroanilino)pyrimidin-4-yl]-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-3-yl]phenol
CID 140142977
2-fluoro-4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]phenol
CID 141335854

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol?
The IUPAC name of 4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol (CID 155203648) is 4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol.
What is the SMILES notation for 4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol?
The canonical SMILES for 4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol is Oc1ccc(-c2nc(Nc3cnn(C4CC4)c3)ncc2Cl)cc1.
What is the InChIKey of 4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol?
The InChIKey is YEHPBYLVJOLVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c17-14-8-18-16(20-11-7-19-22(9-11)12-3-4-12)21-15(14)10-1-5-13(23)6-2-10/h1-2,5-9,12,23H,3-4H2,(H,18,20,21).
What are the key properties of 4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol?
4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol has a molecular weight of 327.78 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol is sourced from PubChem (CID 155203648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).