3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide

C18H20N6O2 — CID 72706872

IUPAC3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide
SMILESCOc1ccnc(Nc2cc(C)cc(-c3cnn(CCC(N)=O)c3)c2)n1
InChIInChI=1S/C18H20N6O2/c1-12-7-13(14-10-21-24(11-14)6-4-16(19)25)9-15(8-12)22-18-20-5-3-17(23-18)26-2/h3,5,7-11H,4,6H2,1-2H3,(H2,19,25)(H,20,22,23)
InChIKeyKEFBNZUNJDNWQN-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.28
Rot. Bonds7

About 3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide

3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide (PubChem CID 72706872) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide
PubChem CID72706872
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide
SMILESCOc1ccnc(Nc2cc(C)cc(-c3cnn(CCC(N)=O)c3)c2)n1
InChIInChI=1S/C18H20N6O2/c1-12-7-13(14-10-21-24(11-14)6-4-16(19)25)9-15(8-12)22-18-20-5-3-17(23-18)26-2/h3,5,7-11H,4,6H2,1-2H3,(H2,19,25)(H,20,22,23)
InChIKeyKEFBNZUNJDNWQN-UHFFFAOYSA-N
XLogP2.28
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-hydroxy-3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide
CID 140679212
ethyl 3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]propanoate
CID 118092663
3-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]propanoic acid
CID 118092858
2-hydroxy-3-[4-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]propanamide
CID 118208860
N-[2-[4-[3-[[4-(difluoromethyl)pyrimidin-2-yl]amino]-5-methylphenyl]pyrazol-1-yl]ethyl]cyclopropanecarboxamide
CID 118208660
(2S)-2-hydroxy-N-(3-methoxypropyl)-3-[4-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]propanamide
CID 118208488
[1-[4-[3-[[4-(difluoromethyl)pyrimidin-2-yl]amino]-5-methylphenyl]pyrazol-1-yl]-2-methylpropan-2-yl]carbamic acid
CID 118208533
4-(1-fluoroethyl)-N-[3-methyl-5-[1-(2-methylprop-2-enyl)pyrazol-4-yl]phenyl]pyrimidin-2-amine
CID 118208622
2-hydroxy-N-(2-hydroxyethyl)-3-[4-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyrazol-1-yl]propanamide
CID 123679518
1-[4-[3-[[4-(difluoromethyl)pyrimidin-2-yl]amino]-5-methylphenyl]pyrazol-1-yl]pentane-2,4-diol
CID 118208661
(2R)-1-[4-[3-[[4-(difluoromethyl)pyrimidin-2-yl]amino]-5-methylphenyl]pyrazol-1-yl]-2,3-dimethylbutane-2,3-diol
CID 118208597
(2S)-1-[4-[3-[[4-(1,1-difluoroethyl)pyrimidin-2-yl]amino]-5-methylphenyl]pyrazol-1-yl]-2,3-dimethylbutane-2,3-diol
CID 118208620

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide?
The IUPAC name of 3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide (CID 72706872) is 3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide is COc1ccnc(Nc2cc(C)cc(-c3cnn(CCC(N)=O)c3)c2)n1.
What is the InChIKey of 3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide?
The InChIKey is KEFBNZUNJDNWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-12-7-13(14-10-21-24(11-14)6-4-16(19)25)9-15(8-12)22-18-20-5-3-17(23-18)26-2/h3,5,7-11H,4,6H2,1-2H3,(H2,19,25)(H,20,22,23).
What are the key properties of 3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide?
3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide has a molecular weight of 352.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide is sourced from PubChem (CID 72706872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).