N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine

C22H23N5 — CID 56705953

IUPACN-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cccnc1)Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C22H23N5/c1-2-11-26(15-18-7-6-10-23-12-18)16-19-13-24-22-21(14-25-27(22)17-19)20-8-4-3-5-9-20/h3-10,12-14,17H,2,11,15-16H2,1H3
InChIKeyTTZWIJDEGZWBKF-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.20
Rot. Bonds7

About N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine

N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 56705953) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID56705953
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC NameN-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cccnc1)Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C22H23N5/c1-2-11-26(15-18-7-6-10-23-12-18)16-19-13-24-22-21(14-25-27(22)17-19)20-8-4-3-5-9-20/h3-10,12-14,17H,2,11,15-16H2,1H3
InChIKeyTTZWIJDEGZWBKF-UHFFFAOYSA-N
XLogP4.20
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine with MolForge

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Related Compounds

N-(oxan-4-ylmethyl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
CID 56711698
(1S)-N-methyl-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 95216814
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 61348602
N-benzyl-2-chloro-N-(pyridin-3-ylmethyl)ethanamine
CID 63389648
(2R,6S)-2,6-dimethyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]morpholine
CID 56704570
N,N-dibenzylpropan-1-amine
CID 10840212
4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-3-propylmorpholine
CID 56701359
ethane;ethylbenzene;3-ethylpyridine
CID 145171299
3-[4-(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]prop-2-yn-1-ol
CID 58691605
N'-propyl-N'-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63265157
N-benzyl-2-methoxy-N-[2-[4-(3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenoxy]ethyl]ethanamine
CID 5329451
2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline
CID 63262604

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine (CID 56705953) is N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine is CCCN(Cc1cccnc1)Cc1cnc2c(-c3ccccc3)cnn2c1.
What is the InChIKey of N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is TTZWIJDEGZWBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-2-11-26(15-18-7-6-10-23-12-18)16-19-13-24-22-21(14-25-27(22)17-19)20-8-4-3-5-9-20/h3-10,12-14,17H,2,11,15-16H2,1H3.
What are the key properties of N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine?
N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 357.46 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 56705953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).