4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine

C20H24N4O — CID 56701359

IUPAC4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine
SMILESCCCC1COCCN1Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C20H24N4O/c1-2-6-18-15-25-10-9-23(18)13-16-11-21-20-19(12-22-24(20)14-16)17-7-4-3-5-8-17/h3-5,7-8,11-12,14,18H,2,6,9-10,13,15H2,1H3
InChIKeyOFDACXRDQZGZGY-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.40
Rot. Bonds5

About 4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine

4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine (PubChem CID 56701359) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine.

Molecular Properties

Compound Name4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine
PubChem CID56701359
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine
SMILESCCCC1COCCN1Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C20H24N4O/c1-2-6-18-15-25-10-9-23(18)13-16-11-21-20-19(12-22-24(20)14-16)17-7-4-3-5-8-17/h3-5,7-8,11-12,14,18H,2,6,9-10,13,15H2,1H3
InChIKeyOFDACXRDQZGZGY-UHFFFAOYSA-N
XLogP3.40
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine
CID 56704570
3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one
CID 56715904
N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 56711698
5-methyl-3-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95231041
3-methyl-5-[(2S)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95218517
2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol
CID 56704340
[(3S)-3-propylmorpholin-4-yl]-(4-pyrazolo[1,5-a]pyrimidin-3-ylphenyl)methanone
CID 126424904
1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperidin-3-ol
CID 56701762
2-(4-benzylmorpholin-3-yl)ethanol
CID 53429129
(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
(3R)-3-propyl-4-(quinolin-2-ylmethyl)morpholine
CID 95129378
(3S,4S)-4-methyl-9-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane-3,4-diol
CID 165421390

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine?
The IUPAC name of 4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine (CID 56701359) is 4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine.
What is the SMILES notation for 4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine?
The canonical SMILES for 4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine is CCCC1COCCN1Cc1cnc2c(-c3ccccc3)cnn2c1.
What is the InChIKey of 4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine?
The InChIKey is OFDACXRDQZGZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-6-18-15-25-10-9-23(18)13-16-11-21-20-19(12-22-24(20)14-16)17-7-4-3-5-8-17/h3-5,7-8,11-12,14,18H,2,6,9-10,13,15H2,1H3.
What are the key properties of 4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine?
4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine has a molecular weight of 336.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine is sourced from PubChem (CID 56701359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).