N-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine

C27H26N6 — CID 59661153

IUPACN-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine
SMILESCCc1cccc(CC)c1N(c1ccn(-c2ccccn2)c1)c1ccn(-c2ccccn2)n1
InChIInChI=1S/C27H26N6/c1-3-21-10-9-11-22(4-2)27(21)33(23-14-18-31(20-23)24-12-5-7-16-28-24)26-15-19-32(30-26)25-13-6-8-17-29-25/h5-20H,3-4H2,1-2H3
InChIKeyBFDNFPFBSZSAKJ-UHFFFAOYSA-N
MW434.55 g/mol
LogP6.05
Rot. Bonds7

About N-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine

N-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine (PubChem CID 59661153) has the molecular formula C27H26N6 and a molecular weight of 434.55 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine
PubChem CID59661153
Molecular FormulaC27H26N6
Molecular Weight434.55 g/mol
Exact Mass434.22
IUPAC NameN-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine
SMILESCCc1cccc(CC)c1N(c1ccn(-c2ccccn2)c1)c1ccn(-c2ccccn2)n1
InChIInChI=1S/C27H26N6/c1-3-21-10-9-11-22(4-2)27(21)33(23-14-18-31(20-23)24-12-5-7-16-28-24)26-15-19-32(30-26)25-13-6-8-17-29-25/h5-20H,3-4H2,1-2H3
InChIKeyBFDNFPFBSZSAKJ-UHFFFAOYSA-N
XLogP6.05
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.55
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[diphenyl-(1-pyridin-2-ylpyrazol-3-yl)methyl]pyrrol-1-yl]pyridine
CID 140814875
2-(3-nitrosopyrazol-1-yl)pyridine
CID 151027458
2-phenyl-N-(1-pyridin-2-ylpyrazol-3-yl)acetamide
CID 135315915
2-[3-(3-methoxyphenyl)pyrrol-1-yl]pyridine
CID 10171469
4-(4-methyl-1-pyridin-2-ylpyrazol-3-yl)morpholine
CID 142590881
2-[3-[3-(3-phenylphenyl)phenyl]pyrazol-1-yl]pyridine
CID 172854391
ethane;2-(3-methylpyrazol-1-yl)pyridine;(3Z)-penta-1,3-diene
CID 145347439
N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
CID 70498647
diethyl (1-pyridin-2-yl-1,2,4-triazol-3-yl) phosphate
CID 12942589
2-(3-butylimidazol-3-ium-1-yl)pyridine
CID 12028834
1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrazol-3-amine
CID 175948498
1-N,6-N-bis(2,6-diethylphenyl)-1-N,6-N-bis(2,6-dimethylphenyl)pyrene-1,6-diamine;1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine;1-N,1-N,6-N,6-N-tetrakis(2-ethyl-6-methylphenyl)pyrene-1,6-diamine
CID 162139755

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine?
The IUPAC name of N-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine (CID 59661153) is N-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine.
What is the SMILES notation for N-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine?
The canonical SMILES for N-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine is CCc1cccc(CC)c1N(c1ccn(-c2ccccn2)c1)c1ccn(-c2ccccn2)n1.
What is the InChIKey of N-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine?
The InChIKey is BFDNFPFBSZSAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6/c1-3-21-10-9-11-22(4-2)27(21)33(23-14-18-31(20-23)24-12-5-7-16-28-24)26-15-19-32(30-26)25-13-6-8-17-29-25/h5-20H,3-4H2,1-2H3.
What are the key properties of N-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine?
N-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine has a molecular weight of 434.55 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-1-pyridin-2-yl-N-(1-pyridin-2-ylpyrrol-3-yl)pyrazol-3-amine is sourced from PubChem (CID 59661153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).