N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine

C21H21N5 — CID 56716440

IUPACN-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCC(c1ccccn1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C21H21N5/c1-16(20-10-6-7-11-22-20)25(2)14-17-12-23-21-19(13-24-26(21)15-17)18-8-4-3-5-9-18/h3-13,15-16H,14H2,1-2H3
InChIKeyWJXJIVDGRPHKAM-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.98
Rot. Bonds5

About N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine

N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 56716440) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID56716440
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCC(c1ccccn1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C21H21N5/c1-16(20-10-6-7-11-22-20)25(2)14-17-12-23-21-19(13-24-26(21)15-17)18-8-4-3-5-9-18/h3-13,15-16H,14H2,1-2H3
InChIKeyWJXJIVDGRPHKAM-UHFFFAOYSA-N
XLogP3.98
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 95216814
(1R)-N-[(1-ethenylpyrazol-4-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 99841792
N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 56705953
N-methyl-3-(1-methylimidazol-2-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]propan-1-amine
CID 74241148
formic acid;3-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]pyrazol-1-yl]propanoic acid
CID 171687066
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 56712418
N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 56711698
N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 75417275
(1S)-N-methyl-1-pyridin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 97314250
(1R)-N-methyl-1-pyridin-2-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 95120319
(2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine
CID 56704570
2-[4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-1-yl]ethanol
CID 56704340

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine (CID 56716440) is N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine is CC(c1ccccn1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1.
What is the InChIKey of N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is WJXJIVDGRPHKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-16(20-10-6-7-11-22-20)25(2)14-17-12-23-21-19(13-24-26(21)15-17)18-8-4-3-5-9-18/h3-13,15-16H,14H2,1-2H3.
What are the key properties of N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine?
N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 343.43 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 56716440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).