N-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine

C17H14ClN7O — CID 71694750

IUPACN-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(Nc2nnc(-c3[nH]ncc3NCc3ccncc3)o2)cc1
InChIInChI=1S/C17H14ClN7O/c18-12-1-3-13(4-2-12)22-17-25-24-16(26-17)15-14(10-21-23-15)20-9-11-5-7-19-8-6-11/h1-8,10,20H,9H2,(H,21,23)(H,22,25)
InChIKeyWMUKRRXMBWNUOZ-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.86
Rot. Bonds6

About N-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine

N-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine (PubChem CID 71694750) has the molecular formula C17H14ClN7O and a molecular weight of 367.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine
PubChem CID71694750
Molecular FormulaC17H14ClN7O
Molecular Weight367.80 g/mol
Exact Mass367.09
IUPAC NameN-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine
SMILESClc1ccc(Nc2nnc(-c3[nH]ncc3NCc3ccncc3)o2)cc1
InChIInChI=1S/C17H14ClN7O/c18-12-1-3-13(4-2-12)22-17-25-24-16(26-17)15-14(10-21-23-15)20-9-11-5-7-19-8-6-11/h1-8,10,20H,9H2,(H,21,23)(H,22,25)
InChIKeyWMUKRRXMBWNUOZ-UHFFFAOYSA-N
XLogP3.86
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[4-(pyridin-3-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine
CID 5147146
N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 75521986
N-(4-bromophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine
CID 70676807
N-(1,3-benzodioxol-5-yl)-5-[2-(pyridin-4-ylmethylamino)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 11668206
N-(3,4-dichlorophenyl)-5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-amine
CID 23644893
N-[(4-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-amine
CID 110456378
5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
CID 78970910
3,5-dichloro-N-(pyridin-4-ylmethyl)aniline
CID 964331
4-[4-(4-chlorophenyl)-1H-pyrazol-5-yl]pyridine
CID 160851614
5-(4-chloroanilino)-3H-1,3,4-oxadiazole-2-thione
CID 11138881
6-N-benzyl-3-N-(4-chlorophenyl)pyridazine-3,6-diamine
CID 6414439
N-(4-chlorophenyl)-5-[(2,6-dichlorophenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 23636122

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine (CID 71694750) is N-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine is Clc1ccc(Nc2nnc(-c3[nH]ncc3NCc3ccncc3)o2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine?
The InChIKey is WMUKRRXMBWNUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN7O/c18-12-1-3-13(4-2-12)22-17-25-24-16(26-17)15-14(10-21-23-15)20-9-11-5-7-19-8-6-11/h1-8,10,20H,9H2,(H,21,23)(H,22,25).
What are the key properties of N-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine?
N-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine has a molecular weight of 367.80 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-[4-(pyridin-4-ylmethylamino)-1H-pyrazol-5-yl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 71694750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).