3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide

C18H21N5O3 — CID 91832531

IUPAC3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
SMILESCOc1ccc(C(N)CC(=O)NCc2cnn3cccnc23)cc1OC
InChIInChI=1S/C18H21N5O3/c1-25-15-5-4-12(8-16(15)26-2)14(19)9-17(24)21-10-13-11-22-23-7-3-6-20-18(13)23/h3-8,11,14H,9-10,19H2,1-2H3,(H,21,24)
InChIKeyBPKCCFOMWXITGP-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.45
Rot. Bonds7

About 3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide

3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide (PubChem CID 91832531) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
PubChem CID91832531
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
SMILESCOc1ccc(C(N)CC(=O)NCc2cnn3cccnc23)cc1OC
InChIInChI=1S/C18H21N5O3/c1-25-15-5-4-12(8-16(15)26-2)14(19)9-17(24)21-10-13-11-22-23-7-3-6-20-18(13)23/h3-8,11,14H,9-10,19H2,1-2H3,(H,21,24)
InChIKeyBPKCCFOMWXITGP-UHFFFAOYSA-N
XLogP1.45
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-3-(4-methoxyphenyl)-3-phenyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
CID 97282762
3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide
CID 130350382
3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
CID 122566168
2-(1-methylindol-3-yl)sulfanyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 119069253
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide
CID 86286976
2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 72860295
bis(methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate);bis(methyl (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoate)
CID 157337826
N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-2-quinazolin-4-yloxyacetamide
CID 90653539
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
2-(5-phenyltetrazol-2-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 90648596
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide (CID 91832531) is 3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide is COc1ccc(C(N)CC(=O)NCc2cnn3cccnc23)cc1OC.
What is the InChIKey of 3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide?
The InChIKey is BPKCCFOMWXITGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-25-15-5-4-12(8-16(15)26-2)14(19)9-17(24)21-10-13-11-22-23-7-3-6-20-18(13)23/h3-8,11,14H,9-10,19H2,1-2H3,(H,21,24).
What are the key properties of 3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide?
3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide has a molecular weight of 355.40 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide is sourced from PubChem (CID 91832531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).