N-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine

C22H26N4 — CID 131905244

IUPACN-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1CN(Cc1ccc(-c2ccccn2)cc1)C1CC1
InChIInChI=1S/C22H26N4/c1-16-21(17(2)25(3)24-16)15-26(20-11-12-20)14-18-7-9-19(10-8-18)22-6-4-5-13-23-22/h4-10,13,20H,11-12,14-15H2,1-3H3
InChIKeyIKTOYGOPGMMEIS-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.26
Rot. Bonds6

About N-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine

N-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 131905244) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID131905244
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC NameN-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCc1nn(C)c(C)c1CN(Cc1ccc(-c2ccccn2)cc1)C1CC1
InChIInChI=1S/C22H26N4/c1-16-21(17(2)25(3)24-16)15-26(20-11-12-20)14-18-7-9-19(10-8-18)22-6-4-5-13-23-22/h4-10,13,20H,11-12,14-15H2,1-3H3
InChIKeyIKTOYGOPGMMEIS-UHFFFAOYSA-N
XLogP4.26
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(quinolin-4-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 50979401
N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 119070990
(3S)-N-methyl-1-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-amine
CID 125000459
2-(1,3,5-trimethylpyrazol-4-yl)pyridine
CID 91021592
N-[(4-pyrimidin-2-yloxyphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 46989726
N-benzyl-1-(oxan-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 122158250
3-pyridin-2-yl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-1,2,4-triazole-5-thione
CID 79234048
N-(oxan-3-ylmethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 91836795
N-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
CID 77095383
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50951963
2-chloro-N-(2-chloroethyl)-N-[(4-pyridin-2-ylphenyl)methyl]ethanamine
CID 11034223
trans-(1R,2R)-N-cyclopropyl-2-phenyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 56743077

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine (CID 131905244) is N-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine is Cc1nn(C)c(C)c1CN(Cc1ccc(-c2ccccn2)cc1)C1CC1.
What is the InChIKey of N-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is IKTOYGOPGMMEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-16-21(17(2)25(3)24-16)15-26(20-11-12-20)14-18-7-9-19(10-8-18)22-6-4-5-13-23-22/h4-10,13,20H,11-12,14-15H2,1-3H3.
What are the key properties of N-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 346.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyridin-2-ylphenyl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 131905244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).