N'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine

C20H25N5 — CID 156587764

IUPACN'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine
SMILESCC(C)(C)n1cc(-c2ccnc(NCCN)c2)c(-c2ccccc2)n1
InChIInChI=1S/C20H25N5/c1-20(2,3)25-14-17(19(24-25)15-7-5-4-6-8-15)16-9-11-22-18(13-16)23-12-10-21/h4-9,11,13-14H,10,12,21H2,1-3H3,(H,22,23)
InChIKeyNFOKMGZEZHOOGC-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.74
Rot. Bonds5

About N'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine

N'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 156587764) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is N'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID156587764
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC NameN'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine
SMILESCC(C)(C)n1cc(-c2ccnc(NCCN)c2)c(-c2ccccc2)n1
InChIInChI=1S/C20H25N5/c1-20(2,3)25-14-17(19(24-25)15-7-5-4-6-8-15)16-9-11-22-18(13-16)23-12-10-21/h4-9,11,13-14H,10,12,21H2,1-3H3,(H,22,23)
InChIKeyNFOKMGZEZHOOGC-UHFFFAOYSA-N
XLogP3.74
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[4-[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-pyridinyl]amino]propyl]-3-fluorobenzenesulfonamide
CID 166593688
1-tert-butyl-3-phenylpyrazole-4-carboxylic acid
CID 39095963
4-bromo-N-[2-[[4-(1,3-diphenylpyrazol-4-yl)-2-pyridinyl]amino]ethyl]benzenesulfonamide
CID 155816399
4-bromo-N-[3-[[4-(1,3-diphenylpyrazol-4-yl)-2-pyridinyl]amino]propyl]benzenesulfonamide
CID 155806992
2-(1-tert-butyl-3-phenylpyrazol-4-yl)acetic acid
CID 39096056
N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]benzamide
CID 155810123
N'-[4-[2-amino-4,6-bis(furan-2-yl)pyrimidin-5-yl]-2-pyridinyl]ethane-1,2-diamine
CID 59749144
3-methoxy-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide
CID 155807269
4-[2-(2-aminoethylamino)-4-pyridinyl]-2,6-dichloro-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561242
N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 155810179
N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]naphthalene-1-sulfonamide
CID 155813390
N-[2-[[4-[1-ethyl-3-(3-hydroxyphenyl)pyrazol-4-yl]-2-pyridinyl]amino]ethyl]naphthalene-1-sulfonamide
CID 162395713

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine (CID 156587764) is N'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine is CC(C)(C)n1cc(-c2ccnc(NCCN)c2)c(-c2ccccc2)n1.
What is the InChIKey of N'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is NFOKMGZEZHOOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-20(2,3)25-14-17(19(24-25)15-7-5-4-6-8-15)16-9-11-22-18(13-16)23-12-10-21/h4-9,11,13-14H,10,12,21H2,1-3H3,(H,22,23).
What are the key properties of N'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine?
N'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 335.46 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1-tert-butyl-3-phenylpyrazol-4-yl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 156587764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).